PKAD-R | Computational biophysics group | Johns Hopkins University

Understanding pKa values in ionizable protein residues is critical for understanding fundamental protein properties, such as structure, function and interactions. We present a new version of PKAD, named PKAD-R, which is a curated database of experimentally determined protein pKa values. The database builds upon its predecessors, PKAD and PKAD-2, with significant updates and improvements through: (1) careful data curation to remove incorrect entries and consolidate redundant entries by offering alternative structures and pKa values for each unique residue (2) database redesign, to enhance its usability by adding additional information such as protein and species names, detailed notes, as well as sequence identity (3) database expansion through identification of 167 new (95 non-redundant) pKa entries from the literature. The database currently contains 868 unique pKa entries for wild type structures and 144 for mutant structures, however, we aim to keep updating the database with new entries. The PKAD-R database is available as a stand-alone downloadable file as well as a web server. The database is designed to provide both a set of pKa entries for unique residues suitable for machine learning applications, as well as modularity by providing alternative pKa values and structures, allowing the user to decide which entries to include.

We encourage/ask experimental investigators to submit their pKa data for inclusion in the database via email to: Ana Damjanovic [email protected]

Please acknowledge the use of PKAD-R in your work:
Ada Y. Chen¹, Shailesh Kumar Panday², Emil Alexov², Bernard R. Brooks¹, Ana Damjanovic^3,*
¹Laboratory of Computational Biology, National Heart, Lung and Blood Institute, NIH, Bethesda, MD 20892
²Department of Physics and Astronomy, Clemson University, Clemson, SC 29634
³Department of Biophysics, Johns Hopkins University, Baltimore, MD 21218

pKa Data Descriptions

“Protein Name” and “Species”

These two columns provide protein names and species for each entry, enabling quick and efficient searches. Users can quickly determine whether a pKa value from the literature is already included in the database by searching for the protein name and species.

“pKa Classification”

The column categorizes each entry as “Main,” “Alt. pKa,” “Alt. pKa (mutant),” or “Alt. pKa (state).” Entries labeled as “Main” represent the most recommended pKa value for a given residue, paired with the most appropriate PDB structure. The label “Alt. pKa” indicates another pKa measurement for the same residue in the same protein as the “Main” entry. “Alt. pKa (mutant)” refers to a pKa measured for the same residue in a mutated version of the protein. “Alt. pKa (state)” denotes a pKa measured in a different state of the protein, such as deoxyhemoglobin versus oxyhemoglobin. For more details on selection of “Alt. pKa (mutant)” and “Alt. pKa (state)” see the description in the “Database Curation” section in the paper.

“Alternative PDBs”

The column lists additional PDB structures that are also available for use and similar to the primary PDB structure listed in the “PDB” column.

“Sequence Identity > 30%” and “Sequence Identity > 90%”

These two columns list chains in the format PDB-ID.Chain-ID (e.g., “1EX3.A”) included in this database that have sequence identities greater than 30% and 90%, respectively, compared to the sequence of the current entry’s chain. Sequence identity is calculated using the PairwiseAligner class from the Bio.Align module within the Biopython library.

“ResID in PDB” and “ResID in pKa paper”

The column “ResID in PDB” lists the residue ID as it appears in the corresponding PDB structure, while “ResID in pKa paper” indicates the residue ID referenced in the original pKa publication when it differs from the PDB.

“Notes”

This column provides, for each residue, details about the selection of the most appropriate pKa value and PDB structure for the “Main” entry, as well as any additional relevant information.

“Warning”

icolumn labels entries under specific conditions: 1) when the pKa is a range or an approximation (labeled as “pKa: range or ~”); 2) when the residue is the C-terminus or N-terminus (labeled as “C/N-term”); 3) when the residue does not exist in the PDB structure but is present in the protein (labeled as “ResID NOT exist”), likely due to its high flexibility and disorder, which makes accurate structural definition difficult; 4) when a mutated structure is used for a wildtype protein, but the mutation is distant from the targeted residue, allowing the structure to be approximately treated as wildtype (labeled as ‘approx. WT’). This column helps users quickly filter out entries that may not meet their needs, such as those unsuitable for direct use in machine learning studies.

Index	Protein Name	Species	pKa Classification	PDB	Chain	ResID in PDB	ResName	Expt. pKa	Mut. Pos.	Alternative PDBs	Notes	Sequence Identity > 30%	Sequence Identity > 90%	ResID in pKa paper	Warning	Expt. Uncertainty	Expt. Temp.	Expt. pH	Expt. Salt Concentration	Expt. Method	Reference
1	Alkyltransferase	Human	Main	1EH6	A	145	CYS	5.3								0.2	296 K		0.25 M	UV spectrophotometry	https://www.ncbi.nlm.nih.gov/pubmed/12974631
2	Alpha-1-Antitrypsin	Human	Main	1QLP	A	232	CYS	6.86								0.05	298 K	5.0-10.0	100 mM	Reaction kinetics	https://www.ncbi.nlm.nih.gov/pubmed/11991955
3	Alpha-Chymotrypsin	Bovine	Main	1YPH	C	40	HIS	7.2				1EX3.A				0.03	298 K		0.5 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00615a008
4	Alpha-Chymotrypsin	Bovine	Main	1YPH	C	57	HIS	6.14				1EX3.A				0.04	298 K		0.5 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00615a008
5	Alpha-Chymotrypsin	Bovine	Main	1YPH	C	102	ASP	2.77				1EX3.A				0.25	298 K		0.5 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00615a008
6	Apolipoprotein-E	Human	Main	1GS9	A	1	LYS	10.5		1NFN		1LE2.A			ResID NOT exist	0.1	310 K	5.5-12.5	150 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/12588864
7	Apolipoprotein-E	Human	Main	1GS9	A	69	LYS	10.4		1NFN		1LE2.A				0.1	310 K	5.5-12.5	150 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/12588864
8	Apolipoprotein-E	Human	Alt. pKa (mutant)	1LE2	A	69	LYS	10.1	R158C (R136C in PDB)		1LE2: R136C	1GS9.A				0.1	310 K	7.0-12.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/11369796
9	Apolipoprotein-E	Human	Main	1GS9	A	72	LYS	10		1NFN		1LE2.A				0.1	310 K	5.5-12.5	150 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/12588864
10	Apolipoprotein-E	Human	Alt. pKa (mutant)	1LE2	A	72	LYS	10	R158C (R136C in PDB)		1LE2: R136C	1GS9.A				0.1	310 K	7.0-12.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/11369796
11	Apolipoprotein-E	Human	Main	1GS9	A	75	LYS	10.1		1NFN		1LE2.A				0.1	310 K	5.5-12.5	150 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/12588864
12	Apolipoprotein-E	Human	Alt. pKa (mutant)	1LE2	A	75	LYS	10	R158C (R136C in PDB)		1LE2: R136C	1GS9.A				0.1	310 K	7.0-12.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/11369796
13	Apolipoprotein-E	Human	Main	1GS9	A	95	LYS	10.1		1NFN		1LE2.A				0.1	310 K	5.5-12.5	150 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/12588864
14	Apolipoprotein-E	Human	Alt. pKa (mutant)	1LE2	A	95	LYS	10.2	R158C (R136C in PDB)		1LE2: R136C	1GS9.A				0.1	310 K	7.0-12.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/11369796
15	Apolipoprotein-E	Human	Main	1GS9	A	143	LYS	9.5		1NFN		1LE2.A				0.1	310 K	5.5-12.5	150 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/12588864
16	Apolipoprotein-E	Human	Alt. pKa (mutant)	1LE2	A	143	LYS	9.4	R158C (R136C in PDB)		1LE2: R136C	1GS9.A				0.1	310 K	7.0-12.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/11369796
17	Apolipoprotein-E	Human	Main	1GS9	A	146	LYS	9.2		1NFN		1LE2.A				0.1	310 K	5.5-12.5	150 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/12588864
18	Apolipoprotein-E	Human	Alt. pKa (mutant)	1LE2	A	146	LYS	9.9	R158C (R136C in PDB)		1LE2: R136C	1GS9.A				0.1	310 K	7.0-12.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/11369796
19	Apolipoprotein-E	Human	Main	1GS9	A	157	LYS	11.1		1NFN		1LE2.A				0.1	310 K	5.5-12.5	150 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/12588864
20	Apolipoprotein-E	Human	Alt. pKa (mutant)	1LE2	A	157	LYS	10.9	R158C (R136C in PDB)		1LE2: R136C	1GS9.A				0.1	310 K	7.0-12.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/11369796
21	Arsenate reductase	Staphylococcus Aureus	Main	1LJU	A	10	CYS	6.8	C15A												https://doi.org/10.1089/ars.2012.4521
22	B1 Immunoglobulin-Binding Domain, Protein G	Streptococcus	Main	1PGB	A	3	TYR	>11		1GB1, 1PGA, 2GB1, 2QMT, 3GB1		1IGD.A			pKa: range or ~		298 K	1.5-11.6	100 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi9630927
23	B1 Immunoglobulin-Binding Domain, Protein G	Streptococcus	Main	1PGB	A	4	LYS	>11		1GB1, 1PGA, 2GB1, 2QMT, 3GB1		1IGD.A			pKa: range or ~		298 K	1.5-11.6	100 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi9630927
24	B1 Immunoglobulin-Binding Domain, Protein G	Streptococcus	Main	1PGB	A	10	LYS	~11		1GB1, 1PGA, 2GB1, 2QMT, 3GB1		1IGD.A			pKa: range or ~		298 K	1.5-11.6		NMR	https://pubs.acs.org/doi/abs/10.1021/bi9630927
25	B1 Immunoglobulin-Binding Domain, Protein G	Streptococcus	Main	1PGB	A	13	LYS	>11		1GB1, 1PGA, 2GB1, 2QMT, 3GB1		1IGD.A			pKa: range or ~		298 K	1.5-11.6		NMR	https://pubs.acs.org/doi/abs/10.1021/bi9630927
26	B1 Immunoglobulin-Binding Domain, Protein G	Streptococcus	Main	1PGB	A	15	GLU	4.4		1GB1, 1PGA, 2GB1, 2QMT, 3GB1		1IGD.A				0.1	298 K	1.5-11.6		NMR	https://pubs.acs.org/doi/abs/10.1021/bi9630927
27	B1 Immunoglobulin-Binding Domain, Protein G	Streptococcus	Main	1PGB	A	19	GLU	3.7		1GB1, 1PGA, 2GB1, 2QMT, 3GB1		1IGD.A				0.15	298 K	1.5-11.6		NMR	https://pubs.acs.org/doi/abs/10.1021/bi9630927
28	B1 Immunoglobulin-Binding Domain, Protein G	Streptococcus	Main	1PGB	A	22	ASP	2.9		1GB1, 1PGA, 2GB1, 2QMT, 3GB1		1IGD.A				0.1	298 K	1.5-11.6		NMR	https://pubs.acs.org/doi/abs/10.1021/bi9630927
29	B1 Immunoglobulin-Binding Domain, Protein G	Streptococcus	Main	1PGB	A	27	GLU	4.5		1GB1, 1PGA, 2GB1, 2QMT, 3GB1		1IGD.A				0.1	298 K	1.5-11.6		NMR	https://pubs.acs.org/doi/abs/10.1021/bi9630927
30	B1 Immunoglobulin-Binding Domain, Protein G	Streptococcus	Main	1PGB	A	28	LYS	10.9		1GB1, 1PGA, 2GB1, 2QMT, 3GB1		1IGD.A					298 K	1.5-11.6		NMR	https://pubs.acs.org/doi/abs/10.1021/bi9630927
31	B1 Immunoglobulin-Binding Domain, Protein G	Streptococcus	Main	1PGB	A	33	TYR	~11		1GB1, 1PGA, 2GB1, 2QMT, 3GB1		1IGD.A			pKa: range or ~		298 K	1.5-11.6		NMR	https://pubs.acs.org/doi/abs/10.1021/bi9630927
32	B1 Immunoglobulin-Binding Domain, Protein G	Streptococcus	Main	1PGB	A	36	ASP	3.8		1GB1, 1PGA, 2GB1, 2QMT, 3GB1		1IGD.A				0.1	298 K	1.5-11.6		NMR	https://pubs.acs.org/doi/abs/10.1021/bi9630927
33	B1 Immunoglobulin-Binding Domain, Protein G	Streptococcus	Main	1PGB	A	40	ASP	4		1GB1, 1PGA, 2GB1, 2QMT, 3GB1		1IGD.A				0.2	298 K	1.5-11.6		NMR	https://pubs.acs.org/doi/abs/10.1021/bi9630927
34	B1 Immunoglobulin-Binding Domain, Protein G	Streptococcus	Main	1PGB	A	42	GLU	4.4		1GB1, 1PGA, 2GB1, 2QMT, 3GB1		1IGD.A				0.1	298 K	1.5-11.6		NMR	https://pubs.acs.org/doi/abs/10.1021/bi9630927
35	B1 Immunoglobulin-Binding Domain, Protein G	Streptococcus	Main	1PGB	A	45	TYR	>12		1GB1, 1PGA, 2GB1, 2QMT, 3GB1		1IGD.A			pKa: range or ~		298 K	1.5-11.6	100 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi9630927
36	B1 Immunoglobulin-Binding Domain, Protein G	Streptococcus	Main	1PGB	A	46	ASP	3.6		1GB1, 1PGA, 2GB1, 2QMT, 3GB1		1IGD.A				0.1	298 K	1.5-11.6		NMR	https://pubs.acs.org/doi/abs/10.1021/bi9630927
37	B1 Immunoglobulin-Binding Domain, Protein G	Streptococcus	Main	1PGB	A	47	ASP	3.4		1GB1, 1PGA, 2GB1, 2QMT, 3GB1		1IGD.A				0.3	298 K	1.5-11.6		NMR	https://pubs.acs.org/doi/abs/10.1021/bi9630927
38	B1 Immunoglobulin-Binding Domain, Protein G	Streptococcus	Main	1PGB	A	56	GLU	4		1GB1, 1PGA, 2GB1, 2QMT, 3GB1		1IGD.A				0.1	298 K	1.5-11.6		NMR	https://pubs.acs.org/doi/abs/10.1021/bi9630927
39	Bacteriorhodopsin	Halobacterium Salinarum	Main	7XJD	A	96	ASP	> 12			Ground state				pKa: range or ~		\	\	\	\	https://www.pnas.org/doi/abs/10.1073/pnas.96.10.5498
40	Bacteriorhodopsin	Halobacterium Salinarum	Alt. pKa (state)	7XJD	A	96	ASP	7.1			N intermediate (there is no structure of the N intermediate).					0.2	293	\	1 M	ATR/FT-IR difference spectroscopy	https://www.pnas.org/doi/abs/10.1073/pnas.96.10.5498
41	Barnase	Bacillus Amyloliquefaciens	Main	1A2P	A	8	ASP	3.1		1B2X, 1BNI, 1BNJ, 1BNR, 1FW7						0.1	303 K	0.2-6.3	50mM-600mM	2D 1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00029a018
42	Barnase	Bacillus Amyloliquefaciens	Main	1A2P	A	12	ASP	3.8		1B2X, 1BNI, 1BNJ, 1BNR, 1FW7						0.1	303 K	0.2-6.3	50mM-600mM	2D 1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00029a018
43	Barnase	Bacillus Amyloliquefaciens	Main	1A2P	A	18	HIS	7.75		1B2X, 1BNI, 1BNJ, 1BNR, 1FW7						0.02	298 K	5.6-8.7	10mM	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00241a021
44	Barnase	Bacillus Amyloliquefaciens	Main	1A2P	A	22	ASP	3.3		1B2X, 1BNI, 1BNJ, 1BNR, 1FW7						0.1	303 K	0.2-6.3	50mM-600mM	2D 1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00029a018
45	Barnase	Bacillus Amyloliquefaciens	Main	1A2P	A	29	GLU	3.75		1B2X, 1BNI, 1BNJ, 1BNR, 1FW7						0.05	303 K	0.2-6.3	50mM-600mM	2D 1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00029a018
46	Barnase	Bacillus Amyloliquefaciens	Main	1A2P	A	44	ASP	3.6		1B2X, 1BNI, 1BNJ, 1BNR, 1FW7						0.1	303 K	0.2-6.3	50mM-600mM	2D 1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00029a018
47	Barnase	Bacillus Amyloliquefaciens	Main	1A2P	A	54	ASP	2.2		1B2X, 1BNI, 1BNJ, 1BNR, 1FW7						0.3	303 K	0.2-6.3	50mM-600mM	2D 1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00029a018
48	Barnase	Bacillus Amyloliquefaciens	Main	1A2P	A	60	GLU	3		1B2X, 1BNI, 1BNJ, 1BNR, 1FW7						0.1	303 K	0.2-6.3	50mM-600mM	2D 1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00029a018
49	Barnase	Bacillus Amyloliquefaciens	Main	1A2P	A	73	GLU	2.1		1B2X, 1BNI, 1BNJ, 1BNR, 1FW7						0.1	303 K	0.2-6.3	50mM-600mM	2D 1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00029a018
50	Barnase	Bacillus Amyloliquefaciens	Main	1A2P	A	75	ASP	3.1		1B2X, 1BNI, 1BNJ, 1BNR, 1FW7						0.2	303 K	0.2-6.3	50mM-600mM	2D 1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00029a018
51	Barnase	Bacillus Amyloliquefaciens	Main	1A2P	A	86	ASP	4.2		1B2X, 1BNI, 1BNJ, 1BNR, 1FW7						0.1	303 K	0.2-6.3	50mM-600mM	2D 1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00029a018
52	Barnase	Bacillus Amyloliquefaciens	Main	1A2P	A	93	ASP	<2.0		1B2X, 1BNI, 1BNJ, 1BNR, 1FW7					pKa: range or ~		303 K	0.2-6.3	50mM-600mM	2D 1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00029a018
53	Barnase	Bacillus Amyloliquefaciens	Main	1A2P	A	101	ASP	2		1B2X, 1BNI, 1BNJ, 1BNR, 1FW7						0.2	303 K	0.2-6.3	50mM-600mM	2D 1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00029a018
54	Barnase	Bacillus Amyloliquefaciens	Main	1A2P	A	102	HIS	6.3		1B2X, 1BNI, 1BNJ, 1BNR, 1FW7						0.05	298 K	6.0-9.0	5M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/3173493
55	Barnase	Bacillus Amyloliquefaciens	Main	1A2P	A	110	C-term	3.3		1B2X, 1BNI, 1BNJ, 1BNR, 1FW7					C/N-term	0.1	303 K	0.2-6.3	50mM-600mM	2D 1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00029a018
56	BM2 protein	Influenza B Virus	Main	2KIX	A	27	HIS	7.9													https://www.sciencedirect.com/science/article/pii/S0021925820330465
57	Bromelain Inhibitor	Pineapple	Main	1BI6	H	1	GLU	3.3								0.1	313 K	1.5-7.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/12674503
58	Bromelain Inhibitor	Pineapple	Main	1BI6	H	2	GLU	3.3								0.1	313 K	1.5-7.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/12674503
59	Bromelain Inhibitor	Pineapple	Main	1BI6	L	5	GLU	4								0.1	313 K	1.5-7.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/12674503
60	Bromelain Inhibitor	Pineapple	Main	1BI6	H	9	ASP	3								0.2	313 K	1.5-7.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/12674503
61	Bromelain Inhibitor	Pineapple	Main	1BI6	H	13	ASP	3.8								0.1	313 K	1.5-7.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/12674503
62	Bromelain Inhibitor	Pineapple	Main	1BI6	H	24	GLU	4.2								0.1	313 K	1.5-7.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/12674503
63	Bromelain Inhibitor	Pineapple	Main	1BI6	H	32	ASP	3.1								0.2	313 K	1.5-7.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/12674503
64	Bromelain Inhibitor	Pineapple	Main	1BI6	H	38	ASP	3.7								0.2	313 K	1.5-7.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/12674503
65	Calbindin	Bovine	Main	4ICB	A	1	LYS	10.58		1IG5, 1IGV, 2BCA, 3ICB	Ca2+ loaded form, pKa from 13C NMR					0.04	300 K	5.25-12.25		NMR	https://www.ncbi.nlm.nih.gov/pubmed/8683586
66	Calbindin	Bovine	Alt. pKa	4ICB	A	1	LYS	10.61			pKa from 1H NMR					0.04	300 K	5.25-12.25		NMR	https://www.ncbi.nlm.nih.gov/pubmed/8683586
67	Calbindin	Bovine	Alt. pKa (state)	4ICB	A	1	LYS	10.59			apo-form pKa, mean of 1H and 13C NMR					0.04	300 K	5.25-12.25		NMR	https://www.ncbi.nlm.nih.gov/pubmed/8683586
68	Calbindin	Bovine	Main	4ICB	A	4	GLU	3.77		1IG5, 1IGV, 2BCA, 3ICB	Ca2+ loaded form					0.02	300 K	2.4-7.6	1 M	NMR	https://onlinelibrary.wiley.com/doi/full/10.1002/%28SICI%291097-0134%2819991001%2937%3A1%3C106%3A%3AAID-PROT10%3E3.0.CO%3B2-M
69	Calbindin	Bovine	Main	4ICB	A	5	GLU	3.4		1IG5, 1IGV, 2BCA, 3ICB	Ca2+ loaded form					0.02	300 K	2.4-7.6	1 M	NMR	https://onlinelibrary.wiley.com/doi/full/10.1002/%28SICI%291097-0134%2819991001%2937%3A1%3C106%3A%3AAID-PROT10%3E3.0.CO%3B2-M
70	Calbindin	Bovine	Main	4ICB	A	7	LYS	11.31		1IG5, 1IGV, 2BCA, 3ICB	Ca2+ loaded form, pKa from 13C NMR					0.03	300 K	5.25-12.25		NMR	https://www.ncbi.nlm.nih.gov/pubmed/8683586
71	Calbindin	Bovine	Alt. pKa	4ICB	A	7	LYS	11.39			pKa from 1H NMR					0.03	300 K	5.25-12.25		NMR	https://www.ncbi.nlm.nih.gov/pubmed/8683586
72	Calbindin	Bovine	Alt. pKa (state)	4ICB	A	7	LYS	11.36			apo-form pKa, mean of 1H and 13C NMR					0.03	300 K	5.25-12.25		NMR	https://www.ncbi.nlm.nih.gov/pubmed/8683586
73	Calbindin	Bovine	Main	4ICB	A	11	GLU	4.74		1IG5, 1IGV, 2BCA, 3ICB	Ca2+ loaded form					0.02	300 K	2.4-7.6	1 M	NMR	https://onlinelibrary.wiley.com/doi/full/10.1002/%28SICI%291097-0134%2819991001%2937%3A1%3C106%3A%3AAID-PROT10%3E3.0.CO%3B2-M
74	Calbindin	Bovine	Main	4ICB	A	12	LYS	11.06		1IG5, 1IGV, 2BCA, 3ICB	Ca2+ loaded form, pKa from 13C NMR					0.07	300 K	5.25-12.25		NMR	https://www.ncbi.nlm.nih.gov/pubmed/8683586
75	Calbindin	Bovine	Main	4ICB	A	16	LYS	10.12		1IG5, 1IGV, 2BCA, 3ICB	Ca2+ loaded form, pKa from 13C NMR					0.05	300 K	5.25-12.25		NMR	https://www.ncbi.nlm.nih.gov/pubmed/8683586
76	Calbindin	Bovine	Alt. pKa	4ICB	A	16	LYS	11.06								0.03	300 K	5.25-12.25		NMR	https://www.ncbi.nlm.nih.gov/pubmed/8683586
77	Calbindin	Bovine	Main	4ICB	A	17	GLU	3.62		1IG5, 1IGV, 2BCA, 3ICB	Ca2+ loaded form						300 K	2.4-7.6	1 M	NMR	https://onlinelibrary.wiley.com/doi/full/10.1002/%28SICI%291097-0134%2819991001%2937%3A1%3C106%3A%3AAID-PROT10%3E3.0.CO%3B2-M
78	Calbindin	Bovine	Main	4ICB	A	25	LYS	11.72		1IG5, 1IGV, 2BCA, 3ICB	Ca2+ loaded form, pKa from 13C NMR					0.06	300 K	5.25-12.25		NMR	https://www.ncbi.nlm.nih.gov/pubmed/8683586
79	Calbindin	Bovine	Alt. pKa	4ICB	A	25	LYS	11.81								0.06	300 K	5.25-12.25		NMR	https://www.ncbi.nlm.nih.gov/pubmed/8683586
80	Calbindin	Bovine	Main	4ICB	A	26	GLU	4.08		1IG5, 1IGV, 2BCA, 3ICB	Ca2+ loaded form					0.04	300 K	2.4-7.6	1 M	NMR	https://onlinelibrary.wiley.com/doi/full/10.1002/%28SICI%291097-0134%2819991001%2937%3A1%3C106%3A%3AAID-PROT10%3E3.0.CO%3B2-M
81	Calbindin	Bovine	Main	4ICB	A	29	LYS	10.88		1IG5, 1IGV, 2BCA, 3ICB	Ca2+ loaded form, pKa from 13C NMR					0.09	300 K	5.25-12.25		NMR	https://www.ncbi.nlm.nih.gov/pubmed/8683586
82	Calbindin	Bovine	Alt. pKa	4ICB	A	29	LYS	11.28								0.03	300 K	5.25-12.25		NMR	https://www.ncbi.nlm.nih.gov/pubmed/8683586
83	Calbindin	Bovine	Main	4ICB	A	41	LYS	10.83		1IG5, 1IGV, 2BCA, 3ICB	Ca2+ loaded form, pKa from 13C NMR					0.06	300 K	5.25-12.25		NMR	https://www.ncbi.nlm.nih.gov/pubmed/8683586
84	Calbindin	Bovine	Alt. pKa	4ICB	A	41	LYS	10.93								0.02	300 K	5.25-12.25		NMR	https://www.ncbi.nlm.nih.gov/pubmed/8683586
85	Calbindin	Bovine	Main	4ICB	A	47	ASP	3.04		1IG5, 1IGV, 2BCA, 3ICB	Ca2+ loaded form					0.09	300 K	2.4-7.6	1 M	NMR	https://onlinelibrary.wiley.com/doi/full/10.1002/%28SICI%291097-0134%2819991001%2937%3A1%3C106%3A%3AAID-PROT10%3E3.0.CO%3B2-M
86	Calbindin	Bovine	Main	4ICB	A	48	GLU	4.62		1IG5, 1IGV, 2BCA, 3ICB	Ca2+ loaded form					0.06	300 K	2.4-7.6	1 M	NMR	https://onlinelibrary.wiley.com/doi/full/10.1002/%28SICI%291097-0134%2819991001%2937%3A1%3C106%3A%3AAID-PROT10%3E3.0.CO%3B2-M
87	Calbindin	Bovine	Main	4ICB	A	55	LYS	11.33		1IG5, 1IGV, 2BCA, 3ICB	Ca2+ loaded form, pKa from 13C NMR					0.04	300 K	5.25-12.25		NMR	https://www.ncbi.nlm.nih.gov/pubmed/8683586
88	Calbindin	Bovine	Alt. pKa	4ICB	A	55	LYS	12.12								0.13	300 K	5.25-12.25		NMR	https://www.ncbi.nlm.nih.gov/pubmed/8683586
89	Calbindin	Bovine	Main	4ICB	A	64	GLU	3.84		1IG5, 1IGV, 2BCA, 3ICB	Ca2+ loaded form					0.02	300 K	2.4-7.6	1 M	NMR	https://onlinelibrary.wiley.com/doi/full/10.1002/%28SICI%291097-0134%2819991001%2937%3A1%3C106%3A%3AAID-PROT10%3E3.0.CO%3B2-M
90	Calbindin	Bovine	Main	4ICB	A	71	LYS	10.73		1IG5, 1IGV, 2BCA, 3ICB	Ca2+ loaded form, pKa from 13C NMR					0.02	300 K	5.25-12.25		NMR	https://www.ncbi.nlm.nih.gov/pubmed/8683586
91	Calbindin	Bovine	Alt. pKa	4ICB	A	71	LYS	10.72								0.05	300 K	5.25-12.25		NMR	https://www.ncbi.nlm.nih.gov/pubmed/8683586
92	Calbindin	Bovine	Main	4ICB	A	72	LYS	10.91		1IG5, 1IGV, 2BCA, 3ICB	Ca2+ loaded form, pKa from 13C NMR					0.07	300 K	5.25-12.25		NMR	https://www.ncbi.nlm.nih.gov/pubmed/8683586
93	Calbindin	Bovine	Alt. pKa	4ICB	A	72	LYS	11.01			pKa from 1H NMR					0.05	300 K	5.25-12.25		NMR	https://www.ncbi.nlm.nih.gov/pubmed/8683586
94	Calbindin	Bovine	Alt. pKa (state)	4ICB	A	72	LYS	11.33			apo-form pKa, mean of 1H and 13C NMR					0.08	300 K	5.25-12.25		NMR	https://www.ncbi.nlm.nih.gov/pubmed/8683586
95	Calbindin	Bovine	Main	4ICB	A	75	C-term	3.2		1IG5, 1IGV, 2BCA, 3ICB	Ca2+ loaded form				C/N-term	0.05	300 K	2.4-7.6	1 M	NMR	https://onlinelibrary.wiley.com/doi/full/10.1002/%28SICI%291097-0134%2819991001%2937%3A1%3C106%3A%3AAID-PROT10%3E3.0.CO%3B2-M
96	Calmodulin	Chicken	Main	4BYA	A	34	HIS	5.92	M144H		4BYA: M144H, only has A; resid 144 should be 71 in PDB	1PRW.A		107.0		0.02	298K	4.5-8.5	60mM	NMR	https://onlinelibrary.wiley.com/doi/am-pdf/10.1002/prot.25321
97	Calmodulin	Chicken	Main	4BYA	A	71	HIS	6.79	M144H		4BYA: M144H, only has A; resid 144 should be 71 in PDB	1PRW.A		144.0		0.02	298K	4.5-8.5	60mM	NMR	https://onlinelibrary.wiley.com/doi/am-pdf/10.1002/prot.25321
98	Calmodulin	Bovine	Main	1PRW	A	13	LYS	10.09			Ca2+ loaded form	4BYA.A				0.1	298 K	2.0-12.0	\	(1H,13C)-heteronuclear multiple quantum coherence (HMQC) NMR	https://pubmed.ncbi.nlm.nih.gov/8226750/
99	Calmodulin	Bovine	Main	1PRW	A	21	LYS	9.88			Ca2+ loaded form	4BYA.A				0.1	298 K	2.0-12.0	\	(1H,13C)-heteronuclear multiple quantum coherence (HMQC) NMR	https://pubmed.ncbi.nlm.nih.gov/8226750/
100	Calmodulin	Bovine	Main	1PRW	A	30	LYS	9.84			Ca2+ loaded form	4BYA.A				0.1	298 K	2.0-12.0	\	(1H,13C)-heteronuclear multiple quantum coherence (HMQC) NMR	https://pubmed.ncbi.nlm.nih.gov/8226750/
101	Calmodulin	Bovine	Main	1PRW	A	75	LYS	9.29			Ca2+ loaded form	4BYA.A				0.1	298 K	2.0-12.0	\	(1H,13C)-heteronuclear multiple quantum coherence (HMQC) NMR	https://pubmed.ncbi.nlm.nih.gov/8226750/
102	Calmodulin	Bovine	Main	1PRW	A	77	LYS	10.23			Ca2+ loaded form	4BYA.A				0.1	298 K	2.0-12.0	\	(1H,13C)-heteronuclear multiple quantum coherence (HMQC) NMR	https://pubmed.ncbi.nlm.nih.gov/8226750/
103	Calmodulin	Bovine	Main	1PRW	A	94	LYS	9.65			Ca2+ loaded form	4BYA.A				0.1	298 K	2.0-12.0	\	(1H,13C)-heteronuclear multiple quantum coherence (HMQC) NMR	https://pubmed.ncbi.nlm.nih.gov/8226750/
104	Calmodulin	Bovine	Main	1PRW	A	148	LYS	10			Ca2+ loaded form	4BYA.A				0.1	298 K	2.0-12.0	\	(1H,13C)-heteronuclear multiple quantum coherence (HMQC) NMR	https://pubmed.ncbi.nlm.nih.gov/8226750/
105	Cardiotoxin	Snake	Main	1KXI	A	4	HIS	5.6		1CVO							293 K	2.5-7.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi960077t
106	Cardiotoxin	Snake	Main	1KXI	A	17	GLU	4		1CVO							293 K	2.5-7.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi960077t
107	Cardiotoxin	Snake	Main	1KXI	A	42	ASP	3.2		1CVO							293 K	2.5-7.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi960077t
108	Cardiotoxin	Snake	Main	1KXI	A	59	ASP	2.3		1CVO							293 K	2.5-7.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi960077t
109	Cathepsin	Rat	Main	1THE	A	29	CYS	3.6									297 K	3.2-8.4	250 mM	Reaction kinetics	https://www.ncbi.nlm.nih.gov/pubmed/1537854
110	Cathepsin	Rat	Main	1THE	A	110	HIS	6.9									297 K	3.2-8.4	250 mM	Reaction kinetics	https://www.ncbi.nlm.nih.gov/pubmed/1537854
111	Cathepsin	Rat	Main	1THE	A	111	HIS	7.7									297 K	3.2-8.4	250 mM	Reaction kinetics	https://www.ncbi.nlm.nih.gov/pubmed/1537854
112	Cathepsin	Rat	Main	1THE	A	199	HIS	8.6									297 K	3.2-8.4	250 mM	Reaction kinetics	https://www.ncbi.nlm.nih.gov/pubmed/1537854
113	CD2	Rat	Main	1CDC	A	2	ASP	3.55		1HNG					ResID NOT exist	0.04	298 K	2.0-10.0	100 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi992209z
114	CD2	Rat	Main	1CDC	A	25	ASP	3.53		1HNG						0.02	298 K	2.0-10.0	100-300 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi992209z
115	CD2	Rat	Main	1CDC	A	26	ASP	3.58		1HNG						0.02	298 K	2.0-10.0	100-300 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi992209z
116	CD2	Rat	Main	1CDC	A	28	ASP	3.57		1HNG						0.06	298 K	2.0-10.0	100-300 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi992209z
117	CD2	Rat	Main	1CDC	A	29	GLU	4.42		1HNG						0.04	298 K	2.0-10.0	100-300 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi992209z
118	CD2	Rat	Main	1CDC	A	33	GLU	4.16		1HNG						0.02	298 K	2.0-10.0	100-300 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi992209z
119	CD2	Rat	Main	1CDC	A	41	GLU	6.73		1HNG						0.05	298 K	2.0-10.0	100-300 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi992209z
120	CD2	Rat	Main	1CDC	A	56	GLU	3.92		1HNG						0.01	298 K	2.0-10.0	100-300 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi992209z
121	CD2	Rat	Main	1CDC	A	62	ASP	4.15		1HNG						0.02	298 K	2.0-10.0	100-300 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi992209z
122	CD2	Rat	Main	1CDC	A	71	ASP	3.18		1HNG						0.04	298 K	2.0-10.0	100-300 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi992209z
123	CD2	Rat	Main	1CDC	A	72	ASP	4.14		1HNG						0.05	298 K	2.0-10.0	100-300 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi992209z
124	CD2	Rat	Main	1CDC	A	94	ASP	3.87		1HNG						0.04	298 K	2.0-10.0	100-300 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi992209z
125	CD2	Rat	Main	1CDC	A	99	GLU	4.25		1HNG						0.04	298 K	2.0-10.0	100-300 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi992209z
126	CD2	Rat	Main	1CDC	A	176	C-term	3.11		1HNG					C/N-term	0.05	298 K	2.0-10.0	100 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi992209z
127	Chymotrypsinogen	Bovine	Main	1EX3	A	102	ASP	1.36				1YPH.C,2TGA.A				0.03	298 K			1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00615a008
128	Chymotrypsinogen	Bovine	Main	1EX3	A	194	ASP	2.29				1YPH.C,2TGA.A				0.06	298 K			1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00615a008
129	Creatine Kinase, Mitochondrial	Human	Main	1QK1	A	278	CYS	5.6				1I0E.A				0.1	…	…	…	…	https://pubs.acs.org/doi/10.1021/acs.jcim.3c00004
130	Creatine Kinase, Muscle	Human	Main	1I0E	A	283	CYS	5.6				1QK1.A				0.05	303 K		30 mM	Spectrophotometric titration	https://pubs.acs.org/doi/abs/10.1021/bi011208f
131	Cyclophilin	Human	Main	2CPL	A	70	HIS	5.84								0.05	293 K	4.6-10.7	0.1 M	NMR	https://www.sciencedirect.com/science/article/pii/0167483894901325?via%3Dihub
132	Cyclophilin	Human	Main	2CPL	A	126	HIS	6.34								0.01	293 K	4.6-10.7	0.1 M	NMR	https://www.sciencedirect.com/science/article/pii/0167483894901325?via%3Dihub
133	Cytochrome C	Horse	Main	1HRC	A	18	HIS	2.5		3NBS							303 K	3.0-11.0	0.1 M	Potentiometric titration	https://pubs.acs.org/doi/abs/10.1021/bi00654a018
134	Cytochrome C	Horse	Main	1HRC	A	26	HIS	<3.2		3NBS					pKa: range or ~		303 K	3.0-11.0	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi00654a018
135	Cytochrome C	Horse	Main	1HRC	A	33	HIS	6.4		3NBS							303 K	3.0-11.0	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi00654a018
136	Cytochrome C	Horse	Main	1HRC	A	67	TYR	11		3NBS							303 K	3.0-11.0	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi00654a018
137	Cytochrome C	Horse	Main	1HRC	A	79	LYS	9		3NBS							303 K	3.0-11.0	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi00654a018
138	DJ-1	Yeast	Main	4QYT	A	111	CYS	4.6				4GE0.A,4GE3.A,4XLL.A	4GE0.A,4GE3.A			0.04	\	3-7	\	absorption of the thiolate anion at 240 nm as a function of pH	https://doi.org/10.1111/febs.12004
139	DJ-1	Yeast	Alt. pKa (mutant)	4GE0	A	111	CYS	5.54	T114P			4GE3.A,4QYT.A,4XLL.A	4GE3.A,4QYT.A			0.05	?	?	?	?	https://doi.org/10.1111/febs.12005
140	DJ-1	Yeast	Alt. pKa (mutant)	4GE3	A	111	CYS	5.23	T114V			4GE0.A,4QYT.A,4XLL.A	4GE0.A,4QYT.A			0.08	?				https://doi.org/10.1111/febs.12006
141	DJ-1	Human	Main	1P5F	A	106	CYS	5.4				3CYF.A,3CZ9.A,3EZG.A,3F71.A,4XLL.A	3CYF.A,3CZ9.A,3EZG.A,3F71.A			0.1	303 K		0.2 M	Spectrophotometric titration	https://pubs.acs.org/doi/10.1021/bi800282d
142	DJ-1	Human	Alt. pKa (mutant)	3F71	A	106	CYS	6.1	E18D			1P5F.A,3CYF.A,3CZ9.A,3EZG.A,4XLL.A	1P5F.A,3CYF.A,3CZ9.A,3EZG.A			0.1	\	3.3-7.4	\	absorption of the thiolate anion at 240 nm	https://pubs.acs.org/doi/10.1021/bi800282d
143	DJ-1	Human	Alt. pKa (mutant)	3CYF	A	106	CYS	6.1	E18N			1P5F.A,3CZ9.A,3EZG.A,3F71.A,4XLL.A	1P5F.A,3CZ9.A,3EZG.A,3F71.A			0.2	\	3.3-7.4	\	absorption of the thiolate anion at 240 nm	https://pubs.acs.org/doi/10.1021/bi800282d
144	DJ-1	Human	Alt. pKa (mutant)	3EZG	A	106	CYS	5.7	E18Q			1P5F.A,3CYF.A,3CZ9.A,3F71.A,4XLL.A	1P5F.A,3CYF.A,3CZ9.A,3F71.A			0.1	\	3.3-7.4	\	absorption of the thiolate anion at 240 nm	https://pubs.acs.org/doi/10.1021/bi800282d
145	DJ-1	Human	Alt. pKa (mutant)	3CZ9	A	106	CYS	6.4	E18L			1P5F.A,3CYF.A,3EZG.A,3F71.A	1P5F.A,3CYF.A,3EZG.A,3F71.A			0.1	\	3.3-7.4	\	absorption of the thiolate anion at 240 nm	https://pubs.acs.org/doi/10.1021/bi800282d
146	DJ-1	Toxoplasma Gondii	Main	4XLL	A	104	CYS	5				1P5F.A,3CYF.A,3EZG.A,3F71.A,4GE0.A,4GE3.A,4QYT.A				0.1	\	\	\	absorption of the thiolate anion at 240 nm	https://doi.org/10.1128/mbio.02189-16
147	DNA Polymerase Lambda	Human	Main	1XSN	A	248	LYS	10.27		1NZP	Not in PDB				ResID NOT exist	0.14	298 K	7.0-10.5	100 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi051856p
148	DNA Polymerase Lambda	Human	Main	1XSN	A	259	LYS	10.07		1NZP						0.14	298 K	7.0-10.5	100 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi051856p
149	DNA Polymerase Lambda	Human	Main	1XSN	A	265	LYS	10.23		1NZP						0.14	298 K	7.0-10.5	100 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi051856p
150	DNA Polymerase Lambda	Human	Main	1XSN	A	273	LYS	10.07		1NZP						0.14	298 K	7.0-10.5	100 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi051856p
151	DNA Polymerase Lambda	Human	Main	1XSN	A	281	LYS	10.01		1NZP						0.14	298 K	7.0-10.5	100 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi051856p
152	DNA Polymerase Lambda	Human	Main	1XSN	A	287	LYS	10.65		1NZP						0.14	298 K	7.0-10.5	100 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi051856p
153	DNA Polymerase Lambda	Human	Main	1XSN	A	291	LYS	10.26		1NZP						0.14	298 K	7.0-10.5	100 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi051856p
154	DNA Polymerase Lambda	Human	Main	1XSN	A	307	LYS	10.16		1NZP						0.14	298 K	7.0-10.5	100 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi051856p
155	DNA Polymerase Lambda	Human	Main	1XSN	A	312	LYS	9.58		1NZP						0.14	298 K	7.0-10.5	100 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi051856p
156	DNA Polymerase Lambda	Human	Main	1XSN	A	324	LYS	10.27		1NZP						0.14	298 K	7.0-10.5	100 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi051856p
157	Drosophila Nucleosome	Human	Main	2PYO	A	3	GLU	4.2							ResID NOT exist		303 K	4.4-7.5	150uM	NMR	https://scholarlypublications.universiteitleiden.nl/access/item%3A2905807/view
158	Drosophila Nucleosome	Human	Main	2PYO	A	4	GLU	2.1							ResID NOT exist		303 K	4.4-7.5	150uM	NMR	https://scholarlypublications.universiteitleiden.nl/access/item%3A2905807/view
159	DsbA	Escherichia Coli	Main	1DSB	A	30	CYS	3.5				1AC1.A,1BED.A,1FVJ.A	1AC1.A,1FVJ.A				298 K	2.0-10.0	0.1 M	Spectrophotometric titration	https://pubs.acs.org/doi/abs/10.1021/bi00185a039
160	DsbA	Escherichia Coli	Alt. pKa (mutant)	1FVJ	A	30	CYS	3.75	H32Y			1AC1.A,1BED.A,1DSB.A	1AC1.A,1DSB.A							UV absorption at 240 nm during pH titration	https://doi.org/10.1089/ars.2012.4521
161	DsbA	Escherichia Coli	Alt. pKa (mutant)	1AC1	A	30	CYS	4.42	H32L			1BED.A,1DSB.A,1FVJ.A	1DSB.A,1FVJ.A							UV absorption at 240 nm during pH titration	https://doi.org/10.1089/ars.2012.4521
162	DsbA	Vibrio Cholerae	Main	1BED	A	30	CYS	5.1			The resid is 49 in pKa paper, but 30 in PDB. The CPHC motif is at resid 30-33 in PDB. This species’ sequence is very different from E. Coli’s: 1BED & 1DSB only have a seq. identity of 40%.	1AC1.A,1DSB.A,1FVJ.A		49.0						Kinetics of oxidation of a substrate peptide monitored by tryptophan fluorescence	https://doi.org/10.1089/ars.2012.4521
163	DsbC	Escherichia Coli	Main	1EEJ	A	98	CYS	4.35			Manually-created “Main” entry, using average pKa of two values from two papers using the same method									pH dependence of UV absorption at 240 nm	https://doi.org/10.1089/ars.2012.4521
164	DsbC	Escherichia Coli	Alt. pKa	1EEJ	A	98	CYS	4.6												pH dependence of UV absorption at 240 nm	https://doi.org/10.1089/ars.2012.4521
165	DsbC	Escherichia Coli	Alt. pKa	1EEJ	A	98	CYS	4.1												pH dependence of UV absorption at 240 nm	https://doi.org/10.1089/ars.2012.4521
166	DsbD, C-Terminal Domain	Escherichia Coli	Main	2FWF	A	461	CYS	10.5		2FWE	…reduced…This one is NMR; pKa in isolated C-terminal domain of DsbD; 2FWE: oxidized form, 2FWF: reduced form						298 K	4 to 12	\	2D NMR	https://pubmed.ncbi.nlm.nih.gov/17544440/
167	DsbD, C-Terminal Domain	Escherichia Coli	Alt. pKa	2FWF	A	461	CYS	9.3		2FWE	pKa in isolated C-terminal domain of DsbD; 2FWE: oxidized form, 2FWF: reduced form									pH dependence of reaction with iodoacetamide and UV absorption at 240 nm	https://pubmed.ncbi.nlm.nih.gov/16545842/
168	DsbD, C-Terminal Domain	Escherichia Coli	Main	2FWF	A	464	CYS	> 12.2		2FWE	…reduced…pKa in isolated C-terminal domain of DsbD; 2FWE: oxidized form, 2FWF: reduced form				pKa: range or ~		298 K	4 to 12	\	2D NMR	https://pubmed.ncbi.nlm.nih.gov/17544440/
169	DsbG	Escherichia Coli	Main	1V57	A	109	CYS	3.5												pH dependence of UV absorption at 240 nm	https://doi.org/10.1089/ars.2012.4521
170	EmrE	Escherichia Coli	Main	8UOZ	B	25	GLU	4.4	E14Q		3B61 = WT					0.3	268K	1.7-11.0	170mM	NMR	https://link.springer.com/content/pdf/10.1007/s10858-020-00323-z.pdf
171	Epidermal Growth Factor	Mouse	Main	1EGF	A	1	N-term	7.7		1EPG, 1EPH, 1EPI, 3EGF					C/N-term	0.1	298 K	1.5-9.0		1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/2036358
172	Epidermal Growth Factor	Mouse	Main	1EGF	A	11	ASP	3.9		1EPG, 1EPH, 1EPI, 3EGF						0.05	298 K	1.5-9.0		1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/2036358
173	Epidermal Growth Factor	Mouse	Main	1EGF	A	22	HIS	6.8		1EPG, 1EPH, 1EPI, 3EGF						0.1	298 K	1.5-9.0		1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/2036358
174	Epidermal Growth Factor	Mouse	Main	1EGF	A	24	GLU	4.1		1EPG, 1EPH, 1EPI, 3EGF						0.1	298 K	1.5-9.0		1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/2036358
175	Epidermal Growth Factor	Mouse	Main	1EGF	A	27	ASP	4		1EPG, 1EPH, 1EPI, 3EGF						0.1	298 K	1.5-9.0		1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/2036358
176	Epidermal Growth Factor	Mouse	Main	1EGF	A	40	ASP	3.6		1EPG, 1EPH, 1EPI, 3EGF						0.1	298 K	1.5-9.0		1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/2036358
177	Epidermal Growth Factor	Mouse	Main	1EGF	A	46	ASP	3.8		1EPG, 1EPH, 1EPI, 3EGF						0.1	298 K	1.5-9.0		1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/2036358
178	Epidermal Growth Factor	Mouse	Main	1EGF	A	51	GLU	~4		1EPG, 1EPH, 1EPI, 3EGF					pKa: range or ~		298 K	1.5-9.0		1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/2036358
179	Epidermal Growth Factor	Mouse	Main	1EGF	A	53	C-term	3.5		1EPG, 1EPH, 1EPI, 3EGF					C/N-term	0.1	298 K	1.5-9.0		1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/2036358
180	Erabutoxin	Snake	Main	3EBX	A	6	HIS	2.8		1ERA							296-326 K			NMR	https://www.ncbi.nlm.nih.gov/pubmed/710401
181	Erabutoxin	Snake	Main	3EBX	A	26	HIS	5.8		1ERA							296-326 K			NMR	https://www.ncbi.nlm.nih.gov/pubmed/710401
182	F1Fo Atp Synthase, Subunit C	Escherichia Coli	Main	1A91	A	2	GLU	5.5								0.3	298 K	3.3-8.0	50 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi00049a034
183	F1Fo Atp Synthase, Subunit C	Escherichia Coli	Main	1A91	A	7	ASP	5.6								0.3	298 K	3.3-8.0	50 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi00049a034
184	F1Fo Atp Synthase, Subunit C	Escherichia Coli	Main	1A91	A	37	GLU	5.5								0.3	298 K	3.3-8.0	50 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi00049a034
185	F1Fo Atp Synthase, Subunit C	Escherichia Coli	Main	1A91	A	44	ASP	5.6								0.1	298 K	3.3-8.0	50 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi00049a034
186	F1Fo Atp Synthase, Subunit C	Escherichia Coli	Main	1A91	A	61	ASP	7.1								0.2	298 K	3.3-8.0	50 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi00049a034
187	Fibronectin	Human	Main	1FNA	A	38	GLU	3.8								<0.05	303 K	1.5-7.0	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi010916y
188	Fibronectin	Human	Main	1FNA	A	47	GLU	3.9								<0.05	303 K	1.5-7.0	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi010916y
189	Fibronectin	Human	Main	1FNA	A	67	ASP	4.2								<0.05	303 K	1.5-7.0	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi010916y
190	Fibronectin	Human	Main	1FNA	A	80	ASP	3.4								<0.05	303 K	1.5-7.0	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi010916y
191	FKBP	Human	Main	1FKS	A	25	HIS	<3.6							pKa: range or ~		298 K	4.6-10.7	0.1 M	NMR	https://www.sciencedirect.com/science/article/pii/0167483894901325?via%3Dihub
192	FKBP	Human	Main	1FKS	A	87	HIS	6.51								0.01	298 K	4.6-10.7	0.1 M	NMR	https://www.sciencedirect.com/science/article/pii/0167483894901325?via%3Dihub
193	FKBP	Human	Main	1FKS	A	94	HIS	5.84								0.02	298 K	4.6-10.7	0.1 M	NMR	https://www.sciencedirect.com/science/article/pii/0167483894901325?via%3Dihub
194	Beta-cryptogein	Phytophthora Cryptogea	Main	1BEO	A	1	N-term	7.43		1BEG					C/N-term		313 K	1.5-11.2		NMR	https://www.ncbi.nlm.nih.gov/pubmed/9862128
195	Beta-cryptogein	Phytophthora Cryptogea	Main	1BEO	A	12	TYR	~11.5		1BEG					pKa: range or ~		313 K	1.5-11.2		NMR	https://www.ncbi.nlm.nih.gov/pubmed/9862128
196	Beta-cryptogein	Phytophthora Cryptogea	Main	1BEO	A	21	ASP	2.49		1BEG						0.05	313 K	1.5-11.2		NMR	https://www.ncbi.nlm.nih.gov/pubmed/9862128
197	Beta-cryptogein	Phytophthora Cryptogea	Main	1BEO	A	30	ASP	2.51		1BEG						0.09	313 K	1.5-11.2		NMR	https://www.ncbi.nlm.nih.gov/pubmed/9862128
198	Beta-cryptogein	Phytophthora Cryptogea	Main	1BEO	A	33	TYR	>12.0		1BEG					pKa: range or ~		313 K	1.5-11.2		NMR	https://www.ncbi.nlm.nih.gov/pubmed/9862128
199	Beta-cryptogein	Phytophthora Cryptogea	Main	1BEO	A	47	TYR	>12.0		1BEG					pKa: range or ~		313 K	1.5-11.2		NMR	https://www.ncbi.nlm.nih.gov/pubmed/9862128
200	Beta-cryptogein	Phytophthora Cryptogea	Main	1BEO	A	61	LYS	10.1		1BEG							313 K	1.5-11.2		NMR	https://www.ncbi.nlm.nih.gov/pubmed/9862128
201	Beta-cryptogein	Phytophthora Cryptogea	Main	1BEO	A	72	ASP	2.61		1BEG						0.15	313 K	1.5-11.2		NMR	https://www.ncbi.nlm.nih.gov/pubmed/9862128
202	Beta-cryptogein	Phytophthora Cryptogea	Main	1BEO	A	85	TYR	10.35		1BEG						0.15	313 K	1.5-11.2		NMR	https://www.ncbi.nlm.nih.gov/pubmed/9862128
203	Beta-cryptogein	Phytophthora Cryptogea	Main	1BEO	A	87	TYR	>12.0		1BEG					pKa: range or ~		313 K	1.5-11.2		NMR	https://www.ncbi.nlm.nih.gov/pubmed/9862128
204	Beta-cryptogein	Phytophthora Cryptogea	Main	1BEO	A	94	LYS	9.4		1BEG							313 K	1.5-11.2		NMR	https://www.ncbi.nlm.nih.gov/pubmed/9862128
205	Beta-cryptogein	Phytophthora Cryptogea	Main	1BEO	A	98	C-term	3.51		1BEG					C/N-term	0.01	313 K	1.5-11.2		NMR	https://www.ncbi.nlm.nih.gov/pubmed/9862128
206	Gamma-TuSC	Yeast	Main	7M2Z	B	441	GLU	4.32						3.0		0.04	297K	2.3-7.2		NMR	https://onlinelibrary.wiley.com/doi/full/10.1002/pro.3618
207	Gamma-TuSC	Yeast	Main	7M2Z	B	443	ASP	3.9						5.0		0.05	297K	2.3-7.2		NMR	https://onlinelibrary.wiley.com/doi/full/10.1002/pro.3618
208	Gamma-TuSC	Yeast	Main	7M2Z	B	447	ASP	4.13						9.0		0.05	297K	2.3-7.2		NMR	https://onlinelibrary.wiley.com/doi/full/10.1002/pro.3618
209	Gamma-TuSC	Yeast	Main	7M2Z	B	448	ASP	4.26						10.0		0.04	297K	2.3-7.2		NMR	https://onlinelibrary.wiley.com/doi/full/10.1002/pro.3618
210	Gamma-TuSC	Yeast	Main	7M2Z	B	452	ASP	4.12						14.0		0.05	297K	2.3-7.2		NMR	https://onlinelibrary.wiley.com/doi/full/10.1002/pro.3618
211	Gamma-TuSC	Yeast	Main	7M2Z	B	453	ASP	4.15						15.0		0.04	297K	2.3-7.2		NMR	https://onlinelibrary.wiley.com/doi/full/10.1002/pro.3618
212	Gamma-TuSC	Yeast	Main	7M2Z	B	459	GLU	4.68			PDB 7M2Z chain B only contains residues up to 453			21.0	ResID NOT exist	0.04	297K	2.3-7.2		NMR	https://onlinelibrary.wiley.com/doi/full/10.1002/pro.3618
213	Gamma-TuSC	Yeast	Main	7M2Z	B	461	GLU	4.67			PDB 7M2Z chain B only contains residues up to 453			23.0	ResID NOT exist	0.06	297K	2.3-7.2		NMR	https://onlinelibrary.wiley.com/doi/full/10.1002/pro.3618
214	Gamma-TuSC	Yeast	Main	7M2Z	B	462	GLU	4.64			PDB 7M2Z chain B only contains residues up to 453			24.0	ResID NOT exist	0.04	297K	2.3-7.2		NMR	https://onlinelibrary.wiley.com/doi/full/10.1002/pro.3618
215	Gamma-TuSC	Yeast	Main	7M2Z	B	463	ASP	4.25			PDB 7M2Z chain B only contains residues up to 453			25.0	ResID NOT exist	0.04	297K	2.3-7.2		NMR	https://onlinelibrary.wiley.com/doi/full/10.1002/pro.3618
216	Gamma-TuSC	Yeast	Main	7M2Z	B	465	ASP	4.09			PDB 7M2Z chain B only contains residues up to 453			27.0	ResID NOT exist	0.06	297K	2.3-7.2		NMR	https://onlinelibrary.wiley.com/doi/full/10.1002/pro.3618
217	Gamma-TuSC	Yeast	Main	7M2Z	B	467	ASP	3.97			PDB 7M2Z chain B only contains residues up to 453			29.0	ResID NOT exist	0.05	297K	2.3-7.2		NMR	https://onlinelibrary.wiley.com/doi/full/10.1002/pro.3618
218	Gamma-TuSC	Yeast	Main	7M2Z	B	469	ASP	3.9			PDB 7M2Z chain B only contains residues up to 453			31.0	ResID NOT exist	0.04	297K	2.3-7.2		NMR	https://onlinelibrary.wiley.com/doi/full/10.1002/pro.3618
219	Gamma-TuSC	Yeast	Main	7M2Z	B	470	HIS	7.16			PDB 7M2Z chain B only contains residues up to 453			32.0	ResID NOT exist	0.02	297K	2.3-7.2		NMR	https://onlinelibrary.wiley.com/doi/full/10.1002/pro.3618
220	GLIC	Gloeobacter Violaceus	Main	8I41	A	35	GLU	5.8													https://www.pnas.org/doi/full/10.1073/pnas.1813378116
221	GLIC	Gloeobacter Violaceus	Main	8I41	A	181	GLU	5.5													https://www.pnas.org/doi/full/10.1073/pnas.1813378116
222	Glutaredoxin	Yeast	Main	3C1R	A	27	CYS	< 4			Sequence CPYC is resid 26-29 in the pKa paper, but it’s 27-30 in PDB. Yeast : Saccharomyces cerevisiae			26.0	pKa: range or ~					pH dependence of iodoacetamide enzyme inactivation	https://doi.org/10.1089/ars.2012.4521
223	Glutaredoxin	Escherichia Coli	Main	1EGO	A	11	CYS	<5.5							pKa: range or ~						https://onlinelibrary.wiley.com/doi/full/10.1002/prot.20660
224	Glutaredoxin	Escherichia Coli	Main	1EGO	A	14	CYS	>10.5							pKa: range or ~						https://onlinelibrary.wiley.com/doi/full/10.1002/prot.20660
225	Glutaredoxin	Pig	Main	1KTE	A	22	CYS	3.8				1JHB.A								pH dependence of reaction with iodoacetamide	https://doi.org/10.1089/ars.2012.4521
226	Glutaredoxin-1	Human	Main	1JHB	A	23	CYS	3.6			This construct may be considered representative of the wild type, since the 3 mutated cysteines are far from the active site. The KPTC motif is resid 20-23 in PDB, but 19-22 in pKa paper.	1KTE.A		22.0	approx. WT					pH dependence of iodoacetamide enzyme inactivation	https://doi.org/10.1089/ars.2012.4521
227	Glutaredoxin-3	Escherichia Coli	Main	1FOV	A	11	CYS	4.1			This construct is a representative of the wild type, since the C65Y mutation is far from the -C-X-X-C- motif.				approx. WT					UV absorption at 240 nm during pH titration	https://doi.org/10.1089/ars.2012.4521
228	Glutaredoxin-3	Escherichia Coli	Alt. pKa	1FOV	A	11	CYS	< 5.5							pKa: range or ~						https://doi.org/10.1089/ars.2012.4521
229	Glutaredoxin-3	Escherichia Coli	Main	1FOV	A	14	CYS	> 10.5							pKa: range or ~						https://doi.org/10.1089/ars.2012.4521
230	Heme-Binding Protein A	Serratia Marcescens	Main	1B2V	A	17	HIS	>8.1							pKa: range or ~		298 K	4.0-11.0	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2373534/
231	Heme-Binding Protein A	Serratia Marcescens	Main	1B2V	A	32	HIS	7.3									298 K	4.0-11.0	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2373534/
232	Heme-Binding Protein A	Serratia Marcescens	Main	1B2V	A	83	HIS	5.6									298 K	4.0-11.0	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2373534/
233	Heme-Binding Protein A	Serratia Marcescens	Main	1B2V	A	128	HIS	7.1									298 K	4.0-11.0	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2373534/
234	Heme-Binding Protein A	Serratia Marcescens	Main	1B2V	A	133	HIS	<4.6							pKa: range or ~		298 K	4.0-11.0	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2373534/
235	Heme-Binding Protein A	Serratia Marcescens	Main	1B2V	A	179	HIS	7.1			PDB 1B2V only contains residues up to resid=174				ResID NOT exist		298 K	4.0-11.0	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2373534/
236	Hemoglobin	Human	Main	4HHB	A	1	N-term	7.83		1HHO	Deoxyhaemoglobin. Cofactors: heme.	1HHO.A,1HHO.B,4HHB.B	1HHO.A		C/N-term	0.1	309.5 K	5.0-9.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi00560a010
237	Hemoglobin	Human	Alt. pKa (state)	1HHO	A	1	N-term	7.16		4HHB	Oxyhaemoglobin. Cofactors: heme and oxygen molecule.	1HHO.B,4HHB.A,4HHB.B	4HHB.A		C/N-term	0.1	309.5 K	5.0-9.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi00560a010
238	Hemoglobin	Human	Main	4HHB	B	1	N-term	6.91		1HHO	Deoxyhaemoglobin. Cofactors: heme.	1HHO.A,1HHO.B,4HHB.A	1HHO.B		C/N-term	0.1	309.5 K	5.0-9.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi00560a010
239	Hemoglobin	Human	Alt. pKa (state)	1HHO	B	1	N-term	7		4HHB	Oxyhaemoglobin. Cofactors: heme and oxygen molecule.	1HHO.A,4HHB.A,4HHB.B	4HHB.B		C/N-term	0.1	309.5 K	5.0-9.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi00560a010
240	Hemoglobin	Human	Main	4HHB	B	2	HIS	6.7		1HHO	Deoxyhaemoglobin. Cofactors: heme.	1HHO.A,1HHO.B,4HHB.A	1HHO.B			0.1	309.5 K	5.0-9.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi00560a010
241	Hemoglobin	Human	Alt. pKa (state)	1HHO	B	2	HIS	6.7		4HHB	Oxyhaemoglobin. Cofactors: heme and oxygen molecule.	1HHO.A,4HHB.A,4HHB.B	4HHB.B			0.1	309.5 K	5.0-9.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi00560a010
242	Hemoglobin	Human	Main	4HHB	A	20	HIS	7.6		1HHO	Deoxyhaemoglobin. Cofactors: heme.	1HHO.A,1HHO.B,4HHB.B	1HHO.A			0.1	309.5 K	5.0-9.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi00560a010
243	Hemoglobin	Human	Alt. pKa (state)	1HHO	A	20	HIS	7		4HHB	Oxyhaemoglobin. Cofactors: heme and oxygen molecule.	1HHO.B,4HHB.A,4HHB.B	4HHB.A			0.1	309.5 K	5.0-9.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi00560a010
244	Hemoglobin	Human	Main	4HHB	A	50	HIS	7.2		1HHO	Deoxyhaemoglobin. Cofactors: heme.	1HHO.A,1HHO.B,4HHB.B	1HHO.A			0.1	309.5 K	5.0-9.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi00560a010
245	Hemoglobin	Human	Alt. pKa (state)	1HHO	A	50	HIS	7.1		4HHB	Oxyhaemoglobin. Cofactors: heme and oxygen molecule.	1HHO.B,4HHB.A,4HHB.B	4HHB.A			0.1	309.5 K	5.0-9.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi00560a010
246	Hemoglobin	Human	Main	4HHB	A	72	HIS	7.3		1HHO	Deoxyhaemoglobin. Cofactors: heme.	1HHO.A,1HHO.B,4HHB.B	1HHO.A			0.1	309.5 K	5.0-9.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi00560a010
247	Hemoglobin	Human	Alt. pKa (state)	1HHO	A	72	HIS	7.1		4HHB	Oxyhaemoglobin. Cofactors: heme and oxygen molecule.	1HHO.B,4HHB.A,4HHB.B	4HHB.A			0.1	309.5 K	5.0-9.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi00560a010
248	Hemoglobin	Human	Main	4HHB	B	77	HIS	7.8		1HHO	Deoxyhaemoglobin. Cofactors: heme.	1HHO.A,1HHO.B,4HHB.A	1HHO.B			0.1	309.5 K	5.0-9.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi00560a010
249	Hemoglobin	Human	Alt. pKa (state)	1HHO	B	77	HIS	7.8		4HHB	Oxyhaemoglobin. Cofactors: heme and oxygen molecule.	1HHO.A,4HHB.A,4HHB.B	4HHB.B			0.1	309.5 K	5.0-9.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi00560a010
250	Hemoglobin	Human	Main	4HHB	A	89	HIS	7.2		1HHO	Deoxyhaemoglobin. Cofactors: heme.	1HHO.A,1HHO.B,4HHB.B	1HHO.A			0.1	309.5 K	5.0-9.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi00560a010
251	Hemoglobin	Human	Alt. pKa (state)	1HHO	A	89	HIS	5.6		4HHB	Oxyhaemoglobin. Cofactors: heme and oxygen molecule.	1HHO.B,4HHB.A,4HHB.B	4HHB.A			0.1	309.5 K	5.0-9.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi00560a010
252	Hemoglobin	Human	Main	4HHB	A	112	HIS	8.1		1HHO	Deoxyhaemoglobin. Cofactors: heme.	1HHO.A,1HHO.B,4HHB.B	1HHO.A			0.1	309.5 K	5.0-9.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi00560a010
253	Hemoglobin	Human	Alt. pKa (state)	1HHO	A	112	HIS	8.1		4HHB	Oxyhaemoglobin. Cofactors: heme and oxygen molecule.	1HHO.B,4HHB.A,4HHB.B	4HHB.A			0.1	309.5 K	5.0-9.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi00560a010
254	Hemoglobin	Human	Main	4HHB	B	143	HIS	5.6		1HHO	Deoxyhaemoglobin. Cofactors: heme.	1HHO.A,1HHO.B,4HHB.A	1HHO.B			0.1	309.5 K	5.0-9.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi00560a010
255	Hemoglobin	Human	Main	4HHB	B	146	HIS	8.1		1HHO	Deoxyhaemoglobin. Cofactors: heme.	1HHO.A,1HHO.B,4HHB.A	1HHO.B			0.1	309.5 K	5.0-9.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi00560a010
256	Hemoglobin	Human	Alt. pKa (state)	1HHO	B	146	HIS	7		4HHB	Oxyhaemoglobin. Cofactors: heme and oxygen molecule.	1HHO.A,4HHB.A,4HHB.B	4HHB.B			0.1	309.5 K	5.0-9.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi00560a010
257	Hirudin	Hirudo Medicinalis	Main	1HIC	A	5	ASP	4.25								0.09	295 K	2.0-6.5		1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/8049231
258	Hirudin	Hirudo Medicinalis	Main	1HIC	A	8	GLU	4.28								0.17	295 K	2.0-6.5		1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/8049231
259	Hirudin	Hirudo Medicinalis	Main	1HIC	A	17	GLU	3.79								0.17	295 K	2.0-6.5		1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/8049231
260	Hirudin	Hirudo Medicinalis	Main	1HIC	A	33	ASP	4.24								0.17	295 K	2.0-6.5		1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/8049231
261	Hirudin	Hirudo Medicinalis	Main	1HIC	A	35	GLU	4.32								0.12	295 K	2.0-6.5		1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/8049231
262	Hirudin	Hirudo Medicinalis	Main	1HIC	A	43	GLU	4.24								0.07	295 K	2.0-6.5		1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/8049231
263	Histone H2A-H2B Heterodimer	Human	Main	2RVQ	D	49	HIS	5.9						46.0			303 K	4.4-9.1	200 mM	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8626509/pdf/41598_2021_Article_2436.pdf
264	Histone H2A-H2B Heterodimer	Human	Main	2RVQ	C	56	GLU	4.3			from 2 papers, diff conc pH; this is from Scientific Reports (impact factor = 3.8), Heyi Zhang, 2021			55.0			303 K	4.4-9.1	200 mM	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8626509/pdf/41598_2021_Article_2436.pdf
265	Histone H2A-H2B Heterodimer	Human	Main	2RVQ	C	90	ASP	5.3			from 2 papers, diff conc pH; this is from Scientific Reports (impact factor = 3.8), Heyi Zhang, 2021			89.0			303 K	4.4-9.1	200 mM	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8626509/pdf/41598_2021_Article_2436.pdf
266	Histone H2A-H2B Heterodimer	Human	Main	2RVQ	C	92	GLU	4.4			from 2 papers, diff conc pH; this is from Scientific Reports (impact factor = 3.8), Heyi Zhang, 2021			91.0			303 K	4.4-9.1	200 mM	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8626509/pdf/41598_2021_Article_2436.pdf
267	Histone H2A-H2B Heterodimer	Human	Main	2RVQ	D	109	HIS	6.5						106.0			303 K	4.4-9.1	200 mM	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8626509/pdf/41598_2021_Article_2436.pdf
268	HIV-1 Protease	Human Immunodeficiency Virus 1	Main	3FX5	A	29	ASP	3.19		1HPX		3FX5.B	3FX5.B				307 K	2.2-7.0	50 mM	NMR	https://pubs.acs.org/doi/10.1021/bi961268z
269	HIV-1 Protease	Human Immunodeficiency Virus 1	Main	3FX5	A	30	ASP	3.88		1HPX		3FX5.B	3FX5.B				307 K	2.2-7.0	50 mM	NMR	https://pubs.acs.org/doi/10.1021/bi961268z
270	HIV-1 Protease	Human Immunodeficiency Virus 1	Main	3FX5	A	60	ASP	2.99		1HPX		3FX5.B	3FX5.B				307 K	2.2-7.0	50 mM	NMR	https://pubs.acs.org/doi/10.1021/bi961268z
271	HIV-1 Protease	Human Immunodeficiency Virus 1	Main	3FX5	B	125	ASP	<2.5		1HPX		3FX5.A	3FX5.A		pKa: range or ~		307 K	2.2-7.0	50 mM	NMR	https://pubs.acs.org/doi/10.1021/bi961268z
272	HIV-1 Protease	Human Immunodeficiency Virus 1	Main	3FX5	B	129	ASP	3.65		1HPX		3FX5.A	3FX5.A				307 K	2.2-7.0	50 mM	NMR	https://pubs.acs.org/doi/10.1021/bi961268z
273	HIV-1 Protease	Human Immunodeficiency Virus 1	Main	3FX5	B	130	ASP	3.78		1HPX		3FX5.A	3FX5.A				307 K	2.2-7.0	50 mM	NMR	https://pubs.acs.org/doi/10.1021/bi961268z
274	HIV-1 Protease	Human Immunodeficiency Virus 1	Main	3FX5	B	160	ASP	2.99		1HPX		3FX5.A	3FX5.A				307 K	2.2-7.0	50 mM	NMR	https://pubs.acs.org/doi/10.1021/bi961268z
275	Hydroperoxide Reductase C	Salmonella Enterica Subsp. Enterica Serovar Typhimurium	Main	4MA9	A	46	CYS	5.94								0.1	297 K	3.0-10.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2645924/
276	IgG-binding domain III, protein G	Streptococcus	Main	1IGD	A	20	GLU	4.3		1IGC, 2IGD, 2IGH		1PGB.A				0.1	298 K	1.5-11.6		NMR	https://pubs.acs.org/doi/abs/10.1021/bi9630927
277	IgG-binding domain III, protein G	Streptococcus	Main	1IGD	A	24	LYS	10.7		1IGC, 2IGD, 2IGH		1PGB.A				0.1	298 K	1.5-11.6		NMR	https://pubs.acs.org/doi/abs/10.1021/bi9630927
278	IgG-binding domain III, protein G	Streptococcus	Main	1IGD	A	27	ASP	2.9		1IGC, 2IGD, 2IGH		1PGB.A				0.1	298 K	1.5-11.6		NMR	https://pubs.acs.org/doi/abs/10.1021/bi9630927
279	IgG-binding domain III, protein G	Streptococcus	Main	1IGD	A	29	GLU	4.2		1IGC, 2IGD, 2IGH		1PGB.A				0.1	298 K	1.5-11.6		NMR	https://pubs.acs.org/doi/abs/10.1021/bi9630927
280	IgG-binding domain III, protein G	Streptococcus	Main	1IGD	A	32	GLU	4.6		1IGC, 2IGD, 2IGH		1PGB.A				0.1	298 K	1.5-11.6		NMR	https://pubs.acs.org/doi/abs/10.1021/bi9630927
281	IgG-binding domain III, protein G	Streptococcus	Main	1IGD	A	41	ASP	3.9		1IGC, 2IGD, 2IGH		1PGB.A				0.1	298 K	1.5-11.6		NMR	https://pubs.acs.org/doi/abs/10.1021/bi9630927
282	IgG-binding domain III, protein G	Streptococcus	Main	1IGD	A	45	ASP	4.4		1IGC, 2IGD, 2IGH		1PGB.A				0.1	298 K	1.5-11.6		NMR	https://pubs.acs.org/doi/abs/10.1021/bi9630927
283	IgG-binding domain III, protein G	Streptococcus	Main	1IGD	A	51	ASP	3.6		1IGC, 2IGD, 2IGH		1PGB.A				0.1	298 K	1.5-11.6		NMR	https://pubs.acs.org/doi/abs/10.1021/bi9630927
284	IgG-binding domain III, protein G	Streptococcus	Main	1IGD	A	52	ASP	3.4		1IGC, 2IGD, 2IGH		1PGB.A				0.1	298 K	1.5-11.6		NMR	https://pubs.acs.org/doi/abs/10.1021/bi9630927
285	IgG-binding domain III, protein G	Streptococcus	Main	1IGD	A	61	GLU	4.2		1IGC, 2IGD, 2IGH		1PGB.A				0.1	298 K	1.5-11.6		NMR	https://pubs.acs.org/doi/abs/10.1021/bi9630927
286	Isomerase	Human	Main	1MEK	A	36	CYS	4.5								0.04	298 K	3.5-7.5	0.1 M	UV spectrophotometry	https://pubs.acs.org/doi/abs/10.1021/bi9617724
287	Lacy	Escherichia Coli	Main	2V8N	A	325	GLU	10.5													https://www.pnas.org/doi/epdf/10.1073/pnas.1820744116
288	GCN4, Leucine Zipper	Yeast	Main	2ZTA	A	1	N-term	7.88				1A93.A,1FMH.A,1U2U.A			C/N-term	0.02	298 K	1.0-13.0	150 mM	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2105789/
289	GCN4, Leucine Zipper	Yeast	Main	2ZTA	A	3	LYS	10.78				1A93.A,1FMH.A,1U2U.A				0.03	298 K	1.0-13.0	150 mM	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2105789/
290	GCN4, Leucine Zipper	Yeast	Main	2ZTA	A	6	GLU	4.6				1A93.A,1FMH.A,1U2U.A				0.15	298 K	1.0-13.0	150 mM	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2105789/
291	GCN4, Leucine Zipper	Yeast	Main	2ZTA	A	7	ASP	3.48				1A93.A,1FMH.A,1U2U.A				0.02	298 K	1.0-13.0	150 mM	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2105789/
292	GCN4, Leucine Zipper	Yeast	Main	2ZTA	A	8	LYS	11.26				1A93.A,1FMH.A,1U2U.A				0.05	298 K	1.0-13.0	150 mM	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2105789/
293	GCN4, Leucine Zipper	Yeast	Main	2ZTA	A	10	GLU	3.94				1A93.A,1FMH.A,1U2U.A				0.1	298 K	1.0-13.0	150 mM	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2105789/
294	GCN4, Leucine Zipper	Yeast	Main	2ZTA	A	11	GLU	4.05				1A93.A,1FMH.A,1U2U.A				0.03	298 K	1.0-13.0	150 mM	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2105789/
295	GCN4, Leucine Zipper	Yeast	Main	2ZTA	A	15	LYS	10.62				1A93.A,1FMH.A,1U2U.A				0.06	298 K	1.0-13.0	150 mM	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2105789/
296	GCN4, Leucine Zipper	Yeast	Main	2ZTA	A	17	TYR	9.82				1A93.A,1FMH.A,1U2U.A				0.08	298 K	1.0-13.0	150 mM	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2105789/
297	GCN4, Leucine Zipper	Yeast	Main	2ZTA	A	18	HIS	6.24				1A93.A,1FMH.A,1U2U.A				0.06	298 K	1.0-13.0	150 mM	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2105789/
298	GCN4, Leucine Zipper	Yeast	Main	2ZTA	A	20	GLU	4.38				1A93.A,1FMH.A,1U2U.A				0.01	298 K	1.0-13.0	150 mM	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2105789/
299	GCN4, Leucine Zipper	Yeast	Main	2ZTA	A	22	GLU	4.2				1A93.A,1FMH.A,1U2U.A				0.08	298 K	1.0-13.0	150 mM	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2105789/
300	GCN4, Leucine Zipper	Yeast	Main	2ZTA	A	27	LYS	11.1				1A93.A,1FMH.A,1U2U.A				0.02	298 K	1.0-13.0	150 mM	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2105789/
301	GCN4, Leucine Zipper	Yeast	Main	2ZTA	A	28	LYS	10.64				1A93.A,1FMH.A,1U2U.A				0.12	298 K	1.0-13.0	150 mM	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2105789/
302	GCN4, Leucine Zipper	Yeast	Main	2ZTA	A	31	C-term	4.03				1A93.A,1FMH.A,1U2U.A			C/N-term	0.06	298 K	1.0-13.0	150 mM	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2105789/
303	Leucine Zipper	Human, Mouse	Main	1A93	A	29	HIS	6.85				1FMH.A,1FMH.B,1U2U.A,2ZTA.A				0.03	298 K	2.0-11.0	50 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283685706341?via%3Dihub
304	Leucine Zipper	Designed	Main	1FMH	A	1	GLU	4.14		1U2U	1FMH & 1U2U are two very similar designed leucine zippers from the same lab; two sets of pKas are also similar; should use only one set of them	1A93.A,1FMH.B,1U2U.A,2ZTA.A	1U2U.A			0.02	310 K	1.2-8.0	0.1 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi001242e
305	Leucine Zipper	Designed	Alt. pKa	1U2U	A	1	GLU	4.1			1FMH & 1U2U are two very similar designed leucine zippers from the same lab; two sets of pKas are also similar; should use only one set of them	1A93.A,1FMH.B,1U2U.A,2ZTA.A	1U2U.A			0.04	310 K	2.0-9.0	0.1 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi048771t
306	Leucine Zipper	Designed	Main	1FMH	B	1	GLU	4.22		1U2U	1FMH & 1U2U are two very similar designed leucine zippers from the same lab; two sets of pKas are also similar; should use only one set of them	1A93.A,1FMH.A,1U2U.A				0.02	310 K	1.2-8.0	0.1 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi001242e
307	Leucine Zipper	Designed	Main	1FMH	A	6	GLU	4.82		1U2U	1FMH & 1U2U are two very similar designed leucine zippers from the same lab; two sets of pKas are also similar; should use only one set of them	1A93.A,1FMH.B,1U2U.A,2ZTA.A	1U2U.A			0.07	310 K	1.2-8.0	0.1 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi001242e
308	Leucine Zipper	Designed	Alt. pKa	1U2U	A	6	GLU	4.9			1FMH & 1U2U are two very similar designed leucine zippers from the same lab; two sets of pKas are also similar; should use only one set of them	1A93.A,1FMH.B,1U2U.A,2ZTA.A	1U2U.A			0.05	310 K	2.0-9.0	0.1 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi048771t
309	Leucine Zipper	Designed	Main	1FMH	A	8	GLU	4.52		1U2U	1FMH & 1U2U are two very similar designed leucine zippers from the same lab; two sets of pKas are also similar; should use only one set of them	1A93.A,1FMH.B,1U2U.A,2ZTA.A	1U2U.A			0.01	310 K	1.2-8.0	0.1 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi001242e
310	Leucine Zipper	Designed	Alt. pKa	1U2U	A	8	GLU	4.89			1FMH & 1U2U are two very similar designed leucine zippers from the same lab; two sets of pKas are also similar; should use only one set of them	1A93.A,1FMH.B,1U2U.A,2ZTA.A	1U2U.A			0.05	310 K	2.0-9.0	0.1 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi048771t
311	Leucine Zipper	Designed	Main	1FMH	A	13	GLU	4.37		1U2U	1FMH & 1U2U are two very similar designed leucine zippers from the same lab; two sets of pKas are also similar; should use only one set of them	1A93.A,1FMH.B,1U2U.A,2ZTA.A	1U2U.A			0.03	310 K	1.2-8.0	0.1 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi001242e
312	Leucine Zipper	Designed	Alt. pKa	1U2U	A	13	GLU	4.42			1FMH & 1U2U are two very similar designed leucine zippers from the same lab; two sets of pKas are also similar; should use only one set of them	1A93.A,1FMH.B,1U2U.A,2ZTA.A	1U2U.A			0.08	310 K	2.0-9.0	0.1 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi048771t
313	Leucine Zipper	Designed	Main	1FMH	A	15	GLU	4.11		1U2U	1FMH & 1U2U are two very similar designed leucine zippers from the same lab; two sets of pKas are also similar; should use only one set of them	1A93.A,1FMH.B,1U2U.A,2ZTA.A	1U2U.A			0.02	310 K	1.2-8.0	0.1 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi001242e
314	Leucine Zipper	Designed	Alt. pKa	1U2U	A	15	GLU	4.09			1FMH & 1U2U are two very similar designed leucine zippers from the same lab; two sets of pKas are also similar; should use only one set of them	1A93.A,1FMH.B,1U2U.A,2ZTA.A	1U2U.A			0.03	310 K	2.0-9.0	0.1 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi048771t
315	Leucine Zipper	Designed	Main	1FMH	A	20	GLU	4.41		1U2U	1FMH & 1U2U are two very similar designed leucine zippers from the same lab; two sets of pKas are also similar; should use only one set of them	1A93.A,1FMH.B,1U2U.A,2ZTA.A	1U2U.A			0.07	310 K	1.2-8.0	0.1 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi001242e
316	Leucine Zipper	Designed	Alt. pKa	1U2U	A	20	GLU	4.21			1FMH & 1U2U are two very similar designed leucine zippers from the same lab; two sets of pKas are also similar; should use only one set of them	1A93.A,1FMH.B,1U2U.A,2ZTA.A	1U2U.A			0.04	310 K	2.0-9.0	0.1 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi048771t
317	Leucine Zipper	Designed	Main	1FMH	A	22	GLU	4.82		1U2U	1FMH & 1U2U are two very similar designed leucine zippers from the same lab; two sets of pKas are also similar; should use only one set of them	1A93.A,1FMH.B,1U2U.A,2ZTA.A	1U2U.A			0.03	310 K	1.2-8.0	0.1 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi001242e
318	Leucine Zipper	Designed	Alt. pKa	1U2U	A	22	GLU	4.83			1FMH & 1U2U are two very similar designed leucine zippers from the same lab; two sets of pKas are also similar; should use only one set of them	1A93.A,1FMH.B,1U2U.A,2ZTA.A	1U2U.A			0.04	310 K	2.0-9.0	0.1 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi048771t
319	Leucine Zipper	Designed	Main	1FMH	A	27	GLU	4.65		1U2U	1FMH & 1U2U are two very similar designed leucine zippers from the same lab; two sets of pKas are also similar; should use only one set of them	1A93.A,1FMH.B,1U2U.A,2ZTA.A	1U2U.A			0.04	310 K	1.2-8.0	0.1 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi001242e
320	Leucine Zipper	Designed	Alt. pKa	1U2U	A	27	GLU	4.74			1FMH & 1U2U are two very similar designed leucine zippers from the same lab; two sets of pKas are also similar; should use only one set of them	1A93.A,1FMH.B,1U2U.A,2ZTA.A	1U2U.A			0.01	310 K	2.0-9.0	0.1 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi048771t
321	Leucine Zipper	Designed	Main	1U2U	A	28	HIS	6.79			This one only exists in 1U2U. 1FMH & 1U2U are two very similar designed leucine zippers from the same lab; two sets of pKas are also similar; should use only one set of them.	1A93.A,1FMH.A,1FMH.B,2ZTA.A	1FMH.A			0.01	310 K	2.0-9.0	0.1 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi048771t
322	Leucine Zipper	Designed	Main	1FMH	A	29	GLU	4.63		1U2U	1FMH & 1U2U are two very similar designed leucine zippers from the same lab; two sets of pKas are also similar; should use only one set of them	1A93.A,1FMH.B,1U2U.A,2ZTA.A	1U2U.A			0.03	310 K	1.2-8.0	0.1 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi001242e
323	Leucine Zipper	Designed	Alt. pKa	1U2U	A	29	GLU	4.63			1FMH & 1U2U are two very similar designed leucine zippers from the same lab; two sets of pKas are also similar; should use only one set of them	1A93.A,1FMH.B,1U2U.A,2ZTA.A	1U2U.A			0.02	310 K	2.0-9.0	0.1 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi048771t
324	Lysozyme	Human	Main	1LZ1	A	78	HIS	7.12				135L.A,4LZT.A				0.04	296 K		0.022 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/1420975
325	Lysozyme	Tequatrovirus T4	Main	1QT8	A	5	GLU	3.7	T26H		1QT8:T26H,only has chainA	1L54.A,1L98.A,2LZM.A	1L54.A,1L98.A,2LZM.A			0.1	298K	1.8-9.8	130mM	C-NMR	https://onlinelibrary.wiley.com/doi/pdf/10.1002/pro.3562
326	Lysozyme	Tequatrovirus T4	Main	1QT8	A	11	GLU	4.7	T26H		1QT8:T26H,only has chainA	1L54.A,1L98.A,2LZM.A	1L54.A,1L98.A,2LZM.A			0.1	298K	1.8-9.8	130mM	C-NMR	https://onlinelibrary.wiley.com/doi/pdf/10.1002/pro.3562
327	Lysozyme	Tequatrovirus T4	Main	1QT8	A	22	GLU	4.3	T26H		1QT8:T26H,only has chainA	1L54.A,1L98.A,2LZM.A	1L54.A,1L98.A,2LZM.A			0.1	298K	1.8-9.8	130mM	C-NMR	https://onlinelibrary.wiley.com/doi/pdf/10.1002/pro.3562
328	Lysozyme	Tequatrovirus T4	Main	1QT8	A	26	HIS	6.8	T26H		1QT8:T26H,only has chainA	1L54.A,1L98.A,2LZM.A	1L54.A,1L98.A,2LZM.A			0.1	298K		130mM	C-NMR	https://onlinelibrary.wiley.com/doi/pdf/10.1002/pro.3562
329	Lysozyme	Tequatrovirus T4	Main	1QT8	A	31	HIS	8.9	T26H		1QT8:T26H,only has chainA	1L54.A,1L98.A,2LZM.A	1L54.A,1L98.A,2LZM.A			0.1	298K		130mM	C-NMR	https://onlinelibrary.wiley.com/doi/pdf/10.1002/pro.3562
330	Lysozyme	Tequatrovirus T4	Main	1QT8	A	45	GLU	3.8	T26H		1QT8:T26H,only has chainA	1L54.A,1L98.A,2LZM.A	1L54.A,1L98.A,2LZM.A			0.1	298K	1.8-9.8	130mM	C-NMR	https://onlinelibrary.wiley.com/doi/pdf/10.1002/pro.3562
331	Lysozyme	Tequatrovirus T4	Main	1QT8	A	47	ASP	3.1	T26H		1QT8:T26H,only has chainA	1L54.A,1L98.A,2LZM.A	1L54.A,1L98.A,2LZM.A			0.1	298K	1.8-7.8	130mM	C-NMR	https://onlinelibrary.wiley.com/doi/pdf/10.1002/pro.3562
332	Lysozyme	Tequatrovirus T4	Main	1QT8	A	61	ASP	3.6	T26H		1QT8:T26H,only has chainA	1L54.A,1L98.A,2LZM.A	1L54.A,1L98.A,2LZM.A			0.1	298K	1.8-7.8	130mM	C-NMR	https://onlinelibrary.wiley.com/doi/pdf/10.1002/pro.3562
333	Lysozyme	Tequatrovirus T4	Main	1QT8	A	62	GLU	2.9	T26H		1QT8:T26H,only has chainA	1L54.A,1L98.A,2LZM.A	1L54.A,1L98.A,2LZM.A			0.1	298K	1.8-9.8	130mM	C-NMR	https://onlinelibrary.wiley.com/doi/pdf/10.1002/pro.3562
334	Lysozyme	Tequatrovirus T4	Main	1QT8	A	64	GLU	4.4	T26H		1QT8:T26H,only has chainA	1L54.A,1L98.A,2LZM.A	1L54.A,1L98.A,2LZM.A			0.1	298K	1.8-9.8	130mM	C-NMR	https://onlinelibrary.wiley.com/doi/pdf/10.1002/pro.3562
335	Lysozyme	Tequatrovirus T4	Main	1QT8	A	72	ASP	3.3	T26H		1QT8:T26H,only has chainA	1L54.A,1L98.A,2LZM.A	1L54.A,1L98.A,2LZM.A			0.1	298K	1.8-7.8	130mM	C-NMR	https://onlinelibrary.wiley.com/doi/pdf/10.1002/pro.3562
336	Lysozyme	Tequatrovirus T4	Main	1QT8	A	89	ASP	4	T26H		1QT8:T26H,only has chainA	1L54.A,1L98.A,2LZM.A	1L54.A,1L98.A,2LZM.A			0.1	298K	1.8-7.8	130mM	C-NMR	https://onlinelibrary.wiley.com/doi/pdf/10.1002/pro.3562
337	Lysozyme	Tequatrovirus T4	Main	1QT8	A	92	ASP	2.7	T26H		1QT8:T26H,only has chainA	1L54.A,1L98.A,2LZM.A	1L54.A,1L98.A,2LZM.A			0.1	298K	1.8-7.8	130mM	C-NMR	https://onlinelibrary.wiley.com/doi/pdf/10.1002/pro.3562
338	Lysozyme	Tequatrovirus T4	Main	1L54	A	102	LYS	6.5	M102K		1L54: mutated, M102K (CYS-54-THR,CYS-97-ALA)	1L98.A,1QT8.A,2LZM.A	1L98.A,1QT8.A,2LZM.A				298 K	2.2-9.0	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi00113a006
339	Lysozyme	Tequatrovirus T4	Main	1L98	A	105	GLU	6	Q105E			1L54.A,1QT8.A,2LZM.A	1L54.A,1QT8.A,2LZM.A				293 K	4.8-7.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/8460110
340	Lysozyme	Tequatrovirus T4	Main	1QT8	A	108	GLU	4.2	T26H		1QT8:T26H,only has chainA	1L54.A,1L98.A,2LZM.A	1L54.A,1L98.A,2LZM.A			0.1	298K	1.8-9.8	130mM	C-NMR	https://onlinelibrary.wiley.com/doi/pdf/10.1002/pro.3562
341	Lysozyme	Tequatrovirus T4	Main	1QT8	A	127	ASP	3.5	T26H		1QT8:T26H,only has chainA	1L54.A,1L98.A,2LZM.A	1L54.A,1L98.A,2LZM.A			0.1	298K	1.8-7.8	130mM	C-NMR	https://onlinelibrary.wiley.com/doi/pdf/10.1002/pro.3562
342	Lysozyme	Tequatrovirus T4	Main	1QT8	A	128	GLU	4.4	T26H		1QT8:T26H,only has chainA	1L54.A,1L98.A,2LZM.A	1L54.A,1L98.A,2LZM.A			0.1	298K	1.8-9.8	130mM	C-NMR	https://onlinelibrary.wiley.com/doi/pdf/10.1002/pro.3562
343	Lysozyme	Tequatrovirus T4	Main	1QT8	A	159	ASP	3.4	T26H		1QT8:T26H,only has chainA	1L54.A,1L98.A,2LZM.A	1L54.A,1L98.A,2LZM.A			0.1	298K	1.8-7.8	130mM	C-NMR	https://onlinelibrary.wiley.com/doi/pdf/10.1002/pro.3562
344	Lysozyme	Bacteriophage	Main	2LZM	A	31	HIS	9.1				1L54.A,1L98.A,1QT8.A	1L54.A,1L98.A,1QT8.A				283 K	0-12	100 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi00461a025
345	Lysozyme	Bacteriophage	Main	2LZM	A	70	ASP	0.5				1L54.A,1L98.A,1QT8.A	1L54.A,1L98.A,1QT8.A				283 K	0-12	100 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi00461a025
346	Lysozyme, Egg white	Chicken	Main	4LZT	A	0	N-term	7.9		1LSE, 1LYS, 2LZT, 6LYZ		135L.A,1LZ1.A			C/N-term	0.1	298 K	1.8-11.1	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/6771251
347	Lysozyme, Egg white	Chicken	Main	4LZT	A	1	LYS	10.8		1LSE, 1LYS, 2LZT, 6LYZ	Apparent pKa	135L.A,1LZ1.A				0.1	298 K	1.8-11.1	0.1 M	Potentiometric titration	https://www.ncbi.nlm.nih.gov/pubmed/6771251
348	Lysozyme, Egg white	Chicken	Alt. pKa	4LZT	A	1	LYS	10.9			Intrinsic pKa	135L.A,1LZ1.A				0.1	298 K	1.8-11.1	0.1 M	Potentiometric titration	https://www.ncbi.nlm.nih.gov/pubmed/6771251
349	Lysozyme, Egg white	Chicken	Main	4LZT	A	7	GLU	2.85		1LSE, 1LYS, 2LZT, 6LYZ	Hen pKa	135L.A,1LZ1.A				0.25	308 K	1.0-7.0	2.5 M	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1275825/
350	Lysozyme, Egg white	Chicken	Main	4LZT	A	13	LYS	10.5		1LSE, 1LYS, 2LZT, 6LYZ	Apparent pKa	135L.A,1LZ1.A				0.1	298 K	1.8-11.1	0.1 M	Potentiometric titration	https://www.ncbi.nlm.nih.gov/pubmed/6771251
351	Lysozyme, Egg white	Chicken	Alt. pKa	4LZT	A	13	LYS	10.7			Intrinsic pKa	135L.A,1LZ1.A				0.1	298 K	1.8-11.1	0.1 M	Potentiometric titration	https://www.ncbi.nlm.nih.gov/pubmed/6771251
352	Lysozyme, Egg white	Chicken	Main	4LZT	A	15	HIS	5.5		1LSE, 1LYS, 2LZT, 6LYZ	Using this pKa measured @ 296K in Taka1992 b/c this is a more moderate temperature	135L.A,1LZ1.A					296 K		0.022 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/1420975
353	Lysozyme, Egg white	Chicken	Alt. pKa	4LZT	A	15	HIS	5.36			Hen pKa @ 308K	135L.A,1LZ1.A				0.07	308 K	1.0-7.0	2.5 M	Potentiometric titration	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1275825/
354	Lysozyme, Egg white	Chicken	Main	4LZT	A	18	ASP	2.66		1LSE, 1LYS, 2LZT, 6LYZ	Hen pKa	135L.A,1LZ1.A				0.08	308 K	1.0-7.0	2.5 M	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1275825/
355	Lysozyme, Egg white	Chicken	Main	4LZT	A	20	TYR	10.6		1LSE, 1LYS, 2LZT, 6LYZ		135L.A,1LZ1.A					298 K	1.8-11.1	0.1 M	Potentiometric titration	https://www.ncbi.nlm.nih.gov/pubmed/6771251
356	Lysozyme, Egg white	Chicken	Main	4LZT	A	23	TYR	10.2		1LSE, 1LYS, 2LZT, 6LYZ		135L.A,1LZ1.A					298 K	1.8-11.1	0.1 M	Potentiometric titration	https://www.ncbi.nlm.nih.gov/pubmed/6771251
357	Lysozyme, Egg white	Chicken	Main	4LZT	A	33	LYS	10.6		1LSE, 1LYS, 2LZT, 6LYZ	Apparent pKa @ 298K from Kura1980; use this b/c this is a more moderate temperature	135L.A,1LZ1.A				0.1	298 K	1.8-11.1	0.1 M	Potentiometric titration	https://www.ncbi.nlm.nih.gov/pubmed/6771251
358	Lysozyme, Egg white	Chicken	Alt. pKa	4LZT	A	33	LYS	10.6			Hen pKa @ 308K from Bart1994	135L.A,1LZ1.A				0.1	308 K	1.0-7.0	0.1 M	Potentiometric titration	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1275825/
359	Lysozyme, Egg white	Chicken	Alt. pKa	4LZT	A	33	LYS	10.7			Intrinsic pKa	135L.A,1LZ1.A				0.1	298 K	1.8-11.1	0.1 M	Potentiometric titration	https://www.ncbi.nlm.nih.gov/pubmed/6771251
360	Lysozyme, Egg white	Chicken	Main	4LZT	A	35	GLU	6.2		1LSE, 1LYS, 2LZT, 6LYZ	Hen pKa	135L.A,1LZ1.A				0.1	308 K	1.0-7.0	2.5 M	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1275825/
361	Lysozyme, Egg white	Chicken	Main	4LZT	A	48	ASP	1.6		1LSE, 1LYS, 2LZT, 6LYZ	Hen pKa	135L.A,1LZ1.A				0.4	308 K	1.0-7.0	2.5 M	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1275825/
362	Lysozyme, Egg white	Chicken	Main	4LZT	A	52	ASP	3.68		1LSE, 1LYS, 2LZT, 6LYZ	Hen pKa	135L.A,1LZ1.A				0.08	308 K	1.0-7.0	2.5 M	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1275825/
363	Lysozyme, Egg white	Chicken	Main	4LZT	A	53	TYR	11.7		1LSE, 1LYS, 2LZT, 6LYZ		135L.A,1LZ1.A					298 K	1.8-11.1	0.1 M	Potentiometric titration	https://www.ncbi.nlm.nih.gov/pubmed/6771251
364	Lysozyme, Egg white	Chicken	Main	4LZT	A	66	ASP	0.9		1LSE, 1LYS, 2LZT, 6LYZ	Hen pKa	135L.A,1LZ1.A				0.5	308 K	1.0-7.0	2.5 M	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1275825/
365	Lysozyme, Egg white	Chicken	Main	4LZT	A	87	ASP	2.07		1LSE, 1LYS, 2LZT, 6LYZ	Hen pKa	135L.A,1LZ1.A				0.15	308 K	1.0-7.0	2.5 M	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1275825/
366	Lysozyme, Egg white	Chicken	Main	4LZT	A	96	LYS	10.8		1LSE, 1LYS, 2LZT, 6LYZ	Apparent pKa	135L.A,1LZ1.A				0.1	298 K	1.8-11.1	0.1 M	Potentiometric titration	https://www.ncbi.nlm.nih.gov/pubmed/6771251
367	Lysozyme, Egg white	Chicken	Alt. pKa	4LZT	A	96	LYS	10.9			Intrinsic pKa	135L.A,1LZ1.A				0.1	298 K	1.8-11.1	0.1 M	Potentiometric titration	https://www.ncbi.nlm.nih.gov/pubmed/6771251
368	Lysozyme, Egg white	Chicken	Main	4LZT	A	97	LYS	10.3		1LSE, 1LYS, 2LZT, 6LYZ	Apparent pKa @ 298K from Kura1980; use this b/c this is a more moderate temperature	135L.A,1LZ1.A				0.1	298 K	1.8-11.1	0.1 M	Potentiometric titration	https://www.ncbi.nlm.nih.gov/pubmed/6771251
369	Lysozyme, Egg white	Chicken	Alt. pKa	4LZT	A	97	LYS	10.3			Hen pKa @ 308K from Bart1994	135L.A,1LZ1.A				0.1	308 K	1.0-7.0	0.1 M	Potentiometric titration	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1275825/
370	Lysozyme, Egg white	Chicken	Alt. pKa	4LZT	A	97	LYS	10.5			Intrinsic pKa	135L.A,1LZ1.A				0.1	298 K	1.8-11.1	0.1 M	Potentiometric titration	https://www.ncbi.nlm.nih.gov/pubmed/6771251
371	Lysozyme, Egg white	Chicken	Main	4LZT	A	101	ASP	5.4		1LSE, 1LYS, 2LZT, 6LYZ	Apparent pKa @ 298K from Kura1980; use this b/c this is a more moderate temperature	135L.A,1LZ1.A				0.07	298 K	1.8-11.1	2.5 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/6771251
372	Lysozyme, Egg white	Chicken	Alt. pKa	4LZT	A	101	ASP	4.09			Hen pKa @ 308K from Bart1994	135L.A,1LZ1.A				0.07	308 K	1.0-7.0	2.5 M	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1275825/
373	Lysozyme, Egg white	Chicken	Main	4LZT	A	116	LYS	10.4		1LSE, 1LYS, 2LZT, 6LYZ	Apparent pKa @ 298K from Kura1980; use this b/c this is a more moderate temperature	135L.A,1LZ1.A				0.1	298 K	1.8-11.1	0.1 M	Potentiometric titration	https://www.ncbi.nlm.nih.gov/pubmed/6771251
374	Lysozyme, Egg white	Chicken	Alt. pKa	4LZT	A	116	LYS	10.4			Hen pKa @ 308K from Bart1994	135L.A,1LZ1.A				0.1	308 K	1.0-7.0	0.1 M	Potentiometric titration	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1275825/
375	Lysozyme, Egg white	Chicken	Alt. pKa	4LZT	A	116	LYS	10.6			Intrinsic pKa	135L.A,1LZ1.A				0.1	298 K	1.8-11.1	0.1 M	Potentiometric titration	https://www.ncbi.nlm.nih.gov/pubmed/6771251
376	Lysozyme, Egg white	Chicken	Main	4LZT	A	119	ASP	3.2		1LSE, 1LYS, 2LZT, 6LYZ	Hen pKa	135L.A,1LZ1.A				0.09	308 K	1.0-7.0	2.5 M	Potentiometric titration	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1275825/
377	Lysozyme, Egg white	Chicken	Main	4LZT	A	129	C-term	2.75		1LSE, 1LYS, 2LZT, 6LYZ	Hen pKa	135L.A,1LZ1.A			C/N-term	0.12	293 K	1.0-7.0	2.5 mM	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1275825/
378	Lysozyme, Egg white	Turkey	Main	135L	A	7	GLU	2.68			Turkey pKa	1LZ1.A,4LZT.A				0.09	308 K	1.0-7.0	2.5 M	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1275825/
379	Lysozyme, Egg white	Turkey	Main	135L	A	18	ASP	2.68			Turkey pKa	1LZ1.A,4LZT.A				0.1	308 K	1.0-7.0	2.5 M	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1275825/
380	Lysozyme, Egg white	Turkey	Main	135L	A	35	GLU	6.06			Turkey pKa	1LZ1.A,4LZT.A				0.12	308 K	1.0-7.0	2.5 M	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1275825/
381	Lysozyme, Egg white	Turkey	Main	135L	A	48	ASP	<2.5			Turkey pKa	1LZ1.A,4LZT.A			pKa: range or ~		308 K	1.0-7.0	2.5 M	1H NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1275825/
382	Lysozyme, Egg white	Turkey	Main	135L	A	52	ASP	3.78			Turkey pKa	1LZ1.A,4LZT.A				0.08	308 K	1.0-7.0	2.5 M	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1275825/
383	Lysozyme, Egg white	Turkey	Main	135L	A	66	ASP	<2.0			Turkey pKa	1LZ1.A,4LZT.A			pKa: range or ~		308 K	1.0-7.0	2.5 M	1H NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1275825/
384	Lysozyme, Egg white	Turkey	Main	135L	A	87	ASP	2.13			Turkey pKa	1LZ1.A,4LZT.A				0.16	308 K	1.0-7.0	2.5 M	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1275825/
385	Lysozyme, Egg white	Turkey	Main	135L	A	119	ASP	3.35			Turkey pKa	1LZ1.A,4LZT.A				0.11	308 K	1.0-7.0	2.5 M	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1275825/
386	Mu Glutathione Transferase	Rat	Main	6GST	A	83	HIS	5.18								0.05	298 K	4.0-9.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/1918058
387	Mu Glutathione Transferase	Rat	Main	6GST	A	84	HIS	7.08								0.01	298 K	4.0-9.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/1918058
388	Mu Glutathione Transferase	Rat	Main	6GST	A	167	HIS	7.77								0.03	298 K	4.0-9.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/1918058
389	MutT Enzyme	Escherichia Coli	Main	1MUT	A	39	LYS	8.4								0.4	296 K	5.5-10.5		NMR	https://pubs.acs.org/doi/abs/10.1021/bi9918745
390	Myoglobin	Whale	Main	1A6K	A	12	HIS	6.49		1A6M, 1DUK, 1MBC, 2MB5, 4MBN	0.2 M, 298 K; Metaquomyoglobin (metMb), from Kao2000	1BVC.A,1MBC.A,1YMB.A	1BVC.A,1MBC.A			<0.01	298 K	5.0-9.0	0.2 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/10969024
391	Myoglobin	Whale	Alt. pKa	1A6K	A	12	HIS	6.4			no salt, 298 K; Metaquomyoglobin (metMb), water-liganded form, from Cocco1992 Table3	1BVC.A,1MBC.A,1YMB.A	1BVC.A,1MBC.A			0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
392	Myoglobin	Whale	Alt. pKa	1A6K	A	12	HIS	6.4			no salt, 298 K; Metaquomyoglobin (metMb), from Bhat1997 (which cited Cocco1992)	1BVC.A,1MBC.A,1YMB.A	1BVC.A,1MBC.A				298 K		absence of salt	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/9414234
393	Myoglobin	Whale	Alt. pKa (state)	1MBC	A	12	HIS	6.3			50 mM, 308 K; Carbon monoxy myoglobin (MbCO), from Bashford1993	1A6K.A,1BVC.A,1YMB.A	1A6K.A,1BVC.A			0.05-0.4	308 K		50 mM	2D double quantum NMR	https://pubs.acs.org/doi/abs/10.1021/bi00082a027
394	Myoglobin	Whale	Main	1A6K	A	24	HIS	<4.8		1A6M, 1DUK, 1MBC, 2MB5, 4MBN	no salt, 298 K; Metaquomyoglobin (metMb), from Bhat1997 (which cited Cocco1992)	1BVC.A,1MBC.A,1YMB.A	1BVC.A,1MBC.A		pKa: range or ~				absence of salt	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/9414234
395	Myoglobin	Whale	Alt. pKa	1A6K	A	24	HIS	<4.8			no salt, 298 K; Metaquomyoglobin (metMb), water-liganded form, from Cocco1992 Table3	1BVC.A,1MBC.A,1YMB.A	1BVC.A,1MBC.A		pKa: range or ~	0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
396	Myoglobin	Whale	Alt. pKa (state)	1BVC	A	24	HIS	<4.8			no salt, 298 K; Apomyoglobin (apoMb), from Cocco1992 Table4	1A6K.A,1MBC.A,1YMB.A	1A6K.A,1MBC.A		pKa: range or ~	0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
397	Myoglobin	Whale	Alt. pKa (state)	1MBC	A	24	HIS	6.2			50 mM, 308 K; Carbon monoxy myoglobin (MbCO), from Bashford1993	1A6K.A,1BVC.A,1YMB.A	1A6K.A,1BVC.A			0.05-0.4	308 K	4.2-8.80	50 mM	2D double quantum NMR	https://pubs.acs.org/doi/abs/10.1021/bi00082a027
398	Myoglobin	Whale	Main	1A6K	A	36	HIS	7.98		1A6M, 1DUK, 1MBC, 2MB5, 4MBN	0.2 M, 298 K; Metaquomyoglobin (metMb), from Kao2000	1BVC.A,1MBC.A,1YMB.A	1BVC.A,1MBC.A			<0.01	298 K	5.0-9.0	0.2 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/10969024
399	Myoglobin	Whale	Alt. pKa	1A6K	A	36	HIS	8.18			no salt, 298 K; Metaquomyoglobin (metMb), water-liganded form, from Cocco1992 Table3	1BVC.A,1MBC.A,1YMB.A	1BVC.A,1MBC.A			0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
400	Myoglobin	Whale	Alt. pKa	1A6K	A	36	HIS	8.2			no salt, 298 K; Metaquomyoglobin (metMb), from Bhat1997 (which cited Cocco1992)	1BVC.A,1MBC.A,1YMB.A	1BVC.A,1MBC.A				298 K		absence of salt	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/9414234
401	Myoglobin	Whale	Alt. pKa (state)	1MBC	A	36	HIS	8			50 mM, 308 K; Carbon monoxy myoglobin (MbCO), from Bashford1993	1A6K.A,1BVC.A,1YMB.A	1A6K.A,1BVC.A			0.05-0.4	308 K		50 mM	2D double quantum NMR	https://pubs.acs.org/doi/abs/10.1021/bi00082a027
402	Myoglobin	Whale	Alt. pKa (state)	1BVC	A	36	HIS	8.2			no salt, 298 K; Apomyoglobin (apoMb), from Cocco1992 Table4; original pKa in the paper are 8.21 (Cδ-H) and 8.10 (Cε-H), use average here	1A6K.A,1MBC.A,1YMB.A	1A6K.A,1MBC.A			0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
403	Myoglobin	Whale	Main	1A6K	A	48	HIS	5.55		1A6M, 1DUK, 1MBC, 2MB5, 4MBN	0.2 M, 298 K; Metaquomyoglobin (metMb), from Kao2000	1BVC.A,1MBC.A,1YMB.A	1BVC.A,1MBC.A			<0.01	298 K	5.0-9.0	0.2 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/10969024
404	Myoglobin	Whale	Alt. pKa	1A6K	A	48	HIS	5.5			no salt, 298 K; Metaquomyoglobin (metMb), water-liganded form, from Cocco1992 Table3	1BVC.A,1MBC.A,1YMB.A	1BVC.A,1MBC.A			0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
405	Myoglobin	Whale	Alt. pKa	1A6K	A	48	HIS	5.5			no salt, 298 K; Metaquomyoglobin (metMb), from Bhat1997 (which cited Cocco1992)	1BVC.A,1MBC.A,1YMB.A	1BVC.A,1MBC.A				298 K		absence of salt	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/9414234
406	Myoglobin	Whale	Alt. pKa (state)	1MBC	A	48	HIS	5.3			50 mM, 308 K; Carbon monoxy myoglobin (MbCO), from Bashford1993	1A6K.A,1BVC.A,1YMB.A	1A6K.A,1BVC.A			0.05-0.4	308 K		50 mM	2D double quantum NMR	https://pubs.acs.org/doi/abs/10.1021/bi00082a027
407	Myoglobin	Whale	Alt. pKa (state)	1BVC	A	48	HIS	5.2			no salt, 298 K; Apomyoglobin (apoMb), from Cocco1992 Table4	1A6K.A,1MBC.A,1YMB.A	1A6K.A,1MBC.A			0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
408	Myoglobin	Whale	Main	1MBC	A	64	HIS	<5		1A6K, 1A6M, 1DUK, 2MB5, 4MBN	50 mM, 308 K; Carbon monoxy myoglobin (MbCO), from Bashford1993	1A6K.A,1BVC.A,1YMB.A	1A6K.A,1BVC.A		pKa: range or ~	0.05-0.4	308 K	4.2-8.80	50 mM	2D double quantum NMR	https://pubs.acs.org/doi/abs/10.1021/bi00082a027
409	Myoglobin	Whale	Main	1A6K	A	81	HIS	6.88		1A6M, 1DUK, 1MBC, 2MB5, 4MBN	0.2 M, 298 K; Metaquomyoglobin (metMb), from Kao2000	1BVC.A,1MBC.A,1YMB.A	1BVC.A,1MBC.A			0.01	298 K	5.0-9.0	0.2 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/10969024
410	Myoglobin	Whale	Alt. pKa	1A6K	A	81	HIS	6.7			no salt, 298 K; Metaquomyoglobin (metMb), water-liganded form, from Cocco1992 Table3	1BVC.A,1MBC.A,1YMB.A	1BVC.A,1MBC.A			0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
411	Myoglobin	Whale	Alt. pKa	1A6K	A	81	HIS	6.7			no salt, 298 K; Metaquomyoglobin (metMb), from Bhat1997 (which cited Cocco1992)	1BVC.A,1MBC.A,1YMB.A	1BVC.A,1MBC.A				298 K		absence of salt	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/9414234
412	Myoglobin	Whale	Alt. pKa (state)	1MBC	A	81	HIS	6.6			50 mM, 308 K; Carbon monoxy myoglobin (MbCO), from Bashford1993	1A6K.A,1BVC.A,1YMB.A	1A6K.A,1BVC.A			0.05-0.4	308 K		50 mM	2D double quantum NMR	https://pubs.acs.org/doi/abs/10.1021/bi00082a027
413	Myoglobin	Whale	Main	1A6K	A	82	HIS	<4.8		1A6M, 1DUK, 1MBC, 2MB5, 4MBN	no salt, 298 K; Metaquomyoglobin (metMb), water-liganded form, from Cocco1992 Table3	1BVC.A,1MBC.A,1YMB.A	1BVC.A,1MBC.A		pKa: range or ~	0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
414	Myoglobin	Whale	Alt. pKa (state)	1MBC	A	82	HIS	<5			50 mM, 308 K; Carbon monoxy myoglobin (MbCO), from Bashford1993	1A6K.A,1BVC.A,1YMB.A	1A6K.A,1BVC.A		pKa: range or ~	0.05-0.4	308 K	4.2-8.80	50 mM	2D double quantum NMR	https://pubs.acs.org/doi/abs/10.1021/bi00082a027
415	Myoglobin	Whale	Main	1MBC	A	93	HIS	<5		1A6K, 1A6M, 1DUK, 2MB5, 4MBN	50 mM, 308 K; Carbon monoxy myoglobin (MbCO), from Bashford1993	1A6K.A,1BVC.A,1YMB.A	1A6K.A,1BVC.A		pKa: range or ~	0.05-0.4	308 K	4.2-8.80	50 mM	2D double quantum NMR	https://pubs.acs.org/doi/abs/10.1021/bi00082a027
416	Myoglobin	Whale	Main	1MBC	A	97	HIS	5.6		1A6K, 1A6M, 1DUK, 2MB5, 4MBN	50 mM, 308 K; Carbon monoxy myoglobin (MbCO), from Bashford1993	1A6K.A,1BVC.A,1YMB.A	1A6K.A,1BVC.A			0.05-0.4	308 K	4.2-8.80	50 mM	2D double quantum NMR	https://pubs.acs.org/doi/abs/10.1021/bi00082a027
417	Myoglobin	Whale	Main	1A6K	A	103	TYR	9.8, 11.6		1A6M, 1DUK, 1MBC, 2MB5, 4MBN	Cyanoferrimyoglobin (MbCN); no MbCN PDB available	1BVC.A,1MBC.A,1YMB.A	1BVC.A,1MBC.A							13C NMR	https://www.ncbi.nlm.nih.gov/pubmed/8455
418	Myoglobin	Whale	Main	1A6K	A	113	HIS	5.51		1A6M, 1DUK, 1MBC, 2MB5, 4MBN	0.2 M, 298 K; Metaquomyoglobin (metMb), from Kao2000	1BVC.A,1MBC.A,1YMB.A	1BVC.A,1MBC.A			0.02	298 K	5.0-9.0	0.2 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/10969024
419	Myoglobin	Whale	Alt. pKa	1A6K	A	113	HIS	~5.0			no salt, 298 K; Metaquomyoglobin (metMb), water-liganded form, from Cocco1992 Table3	1BVC.A,1MBC.A,1YMB.A	1BVC.A,1MBC.A		pKa: range or ~	0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
420	Myoglobin	Whale	Alt. pKa	1A6K	A	113	HIS	5.4			no salt, 298 K; Metaquomyoglobin (metMb), from Bhat1997 (which cited Cocco1992)	1BVC.A,1MBC.A,1YMB.A	1BVC.A,1MBC.A				298 K		absence of salt	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/9414234
421	Myoglobin	Whale	Alt. pKa (state)	1MBC	A	113	HIS	5.4			50 mM, 308 K; Carbon monoxy myoglobin (MbCO), from Bashford1993	1A6K.A,1BVC.A,1YMB.A	1A6K.A,1BVC.A			0.05-0.4	308 K		50 mM	2D double quantum NMR	https://pubs.acs.org/doi/abs/10.1021/bi00082a027
422	Myoglobin	Whale	Alt. pKa (state)	1BVC	A	113	HIS	<5.5			no salt, 298 K; Apomyoglobin (apoMb), from Cocco1992 Table4	1A6K.A,1MBC.A,1YMB.A	1A6K.A,1MBC.A		pKa: range or ~	0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
423	Myoglobin	Whale	Main	1A6K	A	116	HIS	6.7		1A6M, 1DUK, 1MBC, 2MB5, 4MBN	0.2 M, 298 K; Metaquomyoglobin (metMb), from Kao2000	1BVC.A,1MBC.A,1YMB.A	1BVC.A,1MBC.A			0.01	298 K	5.0-9.0	0.2 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/10969024
424	Myoglobin	Whale	Alt. pKa	1A6K	A	116	HIS	6.6			no salt, 298 K; Metaquomyoglobin (metMb), water-liganded form, from Cocco1992 Table3	1BVC.A,1MBC.A,1YMB.A	1BVC.A,1MBC.A			0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
425	Myoglobin	Whale	Alt. pKa	1A6K	A	116	HIS	6.6			no salt, 298 K; Metaquomyoglobin (metMb), from Bhat1997 (which cited Cocco1992)	1BVC.A,1MBC.A,1YMB.A	1BVC.A,1MBC.A				298 K		absence of salt	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/9414234
426	Myoglobin	Whale	Alt. pKa (state)	1MBC	A	116	HIS	6.5			50 mM, 308 K; Carbon monoxy myoglobin (MbCO), from Bashford1993	1A6K.A,1BVC.A,1YMB.A	1A6K.A,1BVC.A			0.05-0.4	308 K		50 mM	2D double quantum NMR	https://pubs.acs.org/doi/abs/10.1021/bi00082a027
427	Myoglobin	Whale	Alt. pKa (state)	1BVC	A	116	HIS	6.6			no salt, 298 K; Apomyoglobin (apoMb), from Cocco1992 Table4	1A6K.A,1MBC.A,1YMB.A	1A6K.A,1MBC.A			0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
428	Myoglobin	Whale	Main	1A6K	A	119	HIS	6.26		1A6M, 1DUK, 1MBC, 2MB5, 4MBN	0.2 M, 298 K; Metaquomyoglobin (metMb), from Kao2000	1BVC.A,1MBC.A,1YMB.A	1BVC.A,1MBC.A			0.01	298 K	5.0-9.0	0.2 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/10969024
429	Myoglobin	Whale	Alt. pKa	1A6K	A	119	HIS	6.1			no salt, 298 K; Metaquomyoglobin (metMb), water-liganded form, from Cocco1992 Table3; original pKa in the paper are 6.20 (Cδ-H) and 6.09 (Cε-H), use average here	1BVC.A,1MBC.A,1YMB.A	1BVC.A,1MBC.A			0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
430	Myoglobin	Whale	Alt. pKa	1A6K	A	119	HIS	6.1			no salt, 298 K; Metaquomyoglobin (metMb), from Bhat1997 (which cited Cocco1992)	1BVC.A,1MBC.A,1YMB.A	1BVC.A,1MBC.A				298 K		absence of salt	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/9414234
431	Myoglobin	Whale	Alt. pKa (state)	1BVC	A	119	HIS	5.6			no salt, 298 K; Apomyoglobin (apoMb), from Cocco1992 Table4; original pKa in the paper are 5.3 (Cδ-H) and 5.81 (Cε-H), use average here	1A6K.A,1MBC.A,1YMB.A	1A6K.A,1MBC.A			0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
432	Myoglobin	Whale	Alt. pKa (state)	1MBC	A	119	HIS	6.1			50 mM, 308 K; Carbon monoxy myoglobin (MbCO), from Bashford1993	1A6K.A,1BVC.A,1YMB.A	1A6K.A,1BVC.A			0.05-0.4	308 K	4.2-8.80	50 mM	2D double quantum NMR	https://pubs.acs.org/doi/abs/10.1021/bi00082a027
433	Myoglobin	Whale	Main	1A6K	A	146	TYR	>12.5		1A6M, 1DUK, 1MBC, 2MB5, 4MBN	Cyanoferrimyoglobin (MbCN); no MbCN PDB available	1BVC.A,1MBC.A,1YMB.A	1BVC.A,1MBC.A		pKa: range or ~					13C NMR	https://www.ncbi.nlm.nih.gov/pubmed/8455
434	Myoglobin	Whale	Main	1A6K	A	151	TYR	10.6		1A6M, 1DUK, 1MBC, 2MB5, 4MBN	Cyanoferrimyoglobin (MbCN); no MbCN PDB available	1BVC.A,1MBC.A,1YMB.A	1BVC.A,1MBC.A							13C NMR	https://www.ncbi.nlm.nih.gov/pubmed/8455
435	Myoglobin	Horse	Main	1YMB	A	24	HIS	<4.8		1DWR, 1WLA	0.2 M, 298 K; Metaquomyoglobin (metMb), from Kao2000	1A6K.A,1BVC.A,1MBC.A			pKa: range or ~		298 K	4.8-9.0	0.2 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/10969024
436	Myoglobin	Horse	Alt. pKa	1YMB	A	24	HIS	<4.8			no salt, 298 K; Metaquomyoglobin (metMb), from Cocco1992 Table3	1A6K.A,1BVC.A,1MBC.A			pKa: range or ~	0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
437	Myoglobin	Horse	Alt. pKa (state)	1YMB	A	24	HIS	<4.8			no salt, 298 K; Apomyoglobin (apoMb), from Cocco1992 Table4; no apo form PDB available	1A6K.A,1BVC.A,1MBC.A			pKa: range or ~	0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
438	Myoglobin	Horse	Main	1YMB	A	36	HIS	7.8		1DWR, 1WLA	0.2 M, 298 K; Metaquomyoglobin (metMb), from Kao2000	1A6K.A,1BVC.A,1MBC.A				0.02	298 K	5.0-9.0	0.2 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/10969024
439	Myoglobin	Horse	Alt. pKa	1YMB	A	36	HIS	7.75			no salt, 299.5K; Metaquomyoglobin (metMb), from Bhat & Lecomte 1997	1A6K.A,1BVC.A,1MBC.A				0.05	299.5K		absence of salt	1H NMR	https://pubmed.ncbi.nlm.nih.gov/9414235/
440	Myoglobin	Horse	Alt. pKa	1YMB	A	36	HIS	7.84			no salt, 298 K; Metaquomyoglobin (metMb), from Cocco1992 Table3	1A6K.A,1BVC.A,1MBC.A				0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
441	Myoglobin	Horse	Alt. pKa (state)	1YMB	A	36	HIS	7.8			no salt, 298 K; Apomyoglobin (apoMb), from Cocco1992 Table4; no apo form PDB available; original pKa in the paper are 7.87 (Cδ-H) and 7.80 (Cε-H), use average here	1A6K.A,1BVC.A,1MBC.A				0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
442	Myoglobin	Horse	Main	1YMB	A	48	HIS	5.62		1DWR, 1WLA	0.2 M, 298 K; Metaquomyoglobin (metMb), from Kao2000	1A6K.A,1BVC.A,1MBC.A				0.01	298 K	5.0-9.0	0.2 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/10969024
443	Myoglobin	Horse	Alt. pKa	1YMB	A	48	HIS	5.5			no salt, 299.5K; Metaquomyoglobin (metMb), from Bhat & Lecomte 1997	1A6K.A,1BVC.A,1MBC.A				0.07	299.5K		absence of salt	1H NMR	https://pubmed.ncbi.nlm.nih.gov/9414235/
444	Myoglobin	Horse	Alt. pKa	1YMB	A	48	HIS	5.5			no salt, 298 K; Metaquomyoglobin (metMb), from Cocco1992 Table3	1A6K.A,1BVC.A,1MBC.A				0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
445	Myoglobin	Horse	Alt. pKa (state)	1YMB	A	48	HIS	5.3			no salt, 298 K; Apomyoglobin (apoMb), from Cocco1992 Table4; no apo form PDB available	1A6K.A,1BVC.A,1MBC.A				0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
446	Myoglobin	Horse	Main	1YMB	A	81	HIS	6.94		1DWR, 1WLA	0.2 M, 298 K; Metaquomyoglobin (metMb), from Kao2000	1A6K.A,1BVC.A,1MBC.A				0.01	298 K	5.0-9.0	0.2 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/10969024
447	Myoglobin	Horse	Alt. pKa	1YMB	A	81	HIS	6.86			no salt, 299.5K; Metaquomyoglobin (metMb), from Bhat & Lecomte 1997	1A6K.A,1BVC.A,1MBC.A				0.05	299.5K		absence of salt	1H NMR	https://pubmed.ncbi.nlm.nih.gov/9414235/
448	Myoglobin	Horse	Alt. pKa	1YMB	A	81	HIS	6.7			no salt, 298 K; Metaquomyoglobin (metMb), from Cocco1992 Table3; original pKa in the paper are 6.58 (Cδ-H) and 6.74 (Cε-H), use average here	1A6K.A,1BVC.A,1MBC.A				0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
449	Myoglobin	Horse	Main	1YMB	A	82	HIS	<4.8		1DWR, 1WLA	no salt, 298 K; Metaquomyoglobin (metMb), from Cocco1992 Table3	1A6K.A,1BVC.A,1MBC.A			pKa: range or ~	0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
450	Myoglobin	Horse	Main	1YMB	A	103	TYR	9.8, 11.6		1DWR, 1WLA	Cyanoferrimyoglobin (MbCN); no MbCN PDB available	1A6K.A,1BVC.A,1MBC.A								13C NMR	https://www.ncbi.nlm.nih.gov/pubmed/8455
451	Myoglobin	Horse	Main	1YMB	A	113	HIS	5.87		1DWR, 1WLA	0.2 M, 298 K; Metaquomyoglobin (metMb), from Kao2000	1A6K.A,1BVC.A,1MBC.A				0.02	298 K	5.0-9.0	0.2 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/10969024
452	Myoglobin	Horse	Alt. pKa	1YMB	A	113	HIS	5.76			no salt, 299.5K; Metaquomyoglobin (metMb), from Bhat & Lecomte 1997	1A6K.A,1BVC.A,1MBC.A				0.07	299.5K		absence of salt	1H NMR	https://pubmed.ncbi.nlm.nih.gov/9414235/
453	Myoglobin	Horse	Alt. pKa	1YMB	A	113	HIS	5.4			no salt, 298 K; Metaquomyoglobin (metMb), from Cocco1992 Table3; original pKa in the paper are 5.37 (Cδ-H) and 5.46 (Cε-H), use average here	1A6K.A,1BVC.A,1MBC.A				0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
454	Myoglobin	Horse	Alt. pKa (state)	1YMB	A	113	HIS	<5.9			no salt, 298 K; Apomyoglobin (apoMb), from Cocco1992 Table4; no apo form PDB available	1A6K.A,1BVC.A,1MBC.A			pKa: range or ~	0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
455	Myoglobin	Horse	Main	1YMB	A	116	HIS	6.79		1DWR, 1WLA	0.2 M, 298 K; Metaquomyoglobin (metMb), from Kao2000	1A6K.A,1BVC.A,1MBC.A				0.01	298 K	5.0-9.0	0.2 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/10969024
456	Myoglobin	Horse	Alt. pKa	1YMB	A	116	HIS	6.72			no salt, 299.5K; Metaquomyoglobin (metMb), from Bhat & Lecomte 1997	1A6K.A,1BVC.A,1MBC.A				0.05	299.5K		absence of salt	1H NMR	https://pubmed.ncbi.nlm.nih.gov/9414235/
457	Myoglobin	Horse	Alt. pKa	1YMB	A	116	HIS	6.7			no salt, 298 K; Metaquomyoglobin (metMb), from Cocco1992 Table3; original pKa in the paper are 6.70 (Cδ-H) and 6.63 (Cε-H), use average here	1A6K.A,1BVC.A,1MBC.A				0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
458	Myoglobin	Horse	Alt. pKa (state)	1YMB	A	116	HIS	6.8			no salt, 298 K; Apomyoglobin (apoMb), from Cocco1992 Table4; no apo form PDB available	1A6K.A,1BVC.A,1MBC.A				0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
459	Myoglobin	Horse	Main	1YMB	A	119	HIS	6.56		1DWR, 1WLA	0.2 M, 298 K; Metaquomyoglobin (metMb), from Kao2000	1A6K.A,1BVC.A,1MBC.A				0.01	298 K	5.0-9.0	0.2 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/10969024
460	Myoglobin	Horse	Alt. pKa	1YMB	A	119	HIS	6.51			no salt, 299.5K; Metaquomyoglobin (metMb), from Bhat & Lecomte 1997	1A6K.A,1BVC.A,1MBC.A				0.05	299.5K		absence of salt	1H NMR	https://pubmed.ncbi.nlm.nih.gov/9414235/
461	Myoglobin	Horse	Alt. pKa	1YMB	A	119	HIS	6.39			no salt, 298 K; Metaquomyoglobin (metMb), from Cocco1992 Table3	1A6K.A,1BVC.A,1MBC.A				0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
462	Myoglobin	Horse	Alt. pKa (state)	1YMB	A	119	HIS	6.2			no salt, 298 K; Apomyoglobin (apoMb), from Cocco1992 Table4; no apo form PDB available; original pKa in the paper are 6.19 (Cδ-H) and 6.30 (Cε-H), use average here	1A6K.A,1BVC.A,1MBC.A				0.2	298 K		absence of salt	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00143a018
463	Myoglobin	Horse	Main	1YMB	A	146	TYR	>12.5		1DWR, 1WLA	Cyanoferrimyoglobin (MbCN); no MbCN PDB available	1A6K.A,1BVC.A,1MBC.A			pKa: range or ~					13C NMR	https://www.ncbi.nlm.nih.gov/pubmed/8455
464	Myristoylated msrA	Murine	Main	2L90	A	72	CYS	7.2								0.2	310 K	5.0-10.5	200 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/22661719
465	Neurotoxin III	Sea Anemone	Main	1ANS	A	7	TYR	9.7								0.2	300 K	1.8-12.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/8102051
466	Neurotoxin III	Sea Anemone	Main	1ANS	A	18	TYR	10.1								0.2	300 K	1.8-12.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/8102051
467	Neurotoxin III	Sea Anemone	Main	1ANS	A	20	GLU	5.4								0.2	300 K	1.8-12.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/8102051
468	Neurotoxin III	Sea Anemone	Main	1ANS	A	27	C-term	3.3							C/N-term	0.3	300 K	1.8-12.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/8102051
469	ORF56	Sulfolobus Islandicus	Main	3FT7	B	0	C-term	3.23							C/N-term	0.03	298 K	0-12.5	<60mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cbic.201800628
470	ORF56	Sulfolobus Islandicus	Main	3FT7	B	1	N-term	7.76							C/N-term	0.04	298 K	0-12.5	<60mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cbic.201800628
471	ORF56	Sulfolobus Islandicus	Main	3FT7	B	5	TYR	9.66							ResID NOT exist	0.11	298 K	0-12.5	<60mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cbic.201800628
472	ORF56	Sulfolobus Islandicus	Main	3FT7	B	6	LYS	10.78							ResID NOT exist	0.13	298 K	0-12.5	<60mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cbic.201800628
473	ORF56	Sulfolobus Islandicus	Main	3FT7	B	12	LYS	10.83								0.1	298 K	0-12.5	<60mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cbic.201800628
474	ORF56	Sulfolobus Islandicus	Main	3FT7	B	16	TYR	9.14								0.08	298 K	0-12.5	<60mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cbic.201800628
475	ORF56	Sulfolobus Islandicus	Main	3FT7	B	20	GLU	4.12								0.04	298 K	0-12.5	<60mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cbic.201800628
476	ORF56	Sulfolobus Islandicus	Main	3FT7	B	22	HIS	4.79								0.04	298 K	0-12.5	<60mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cbic.201800628
477	ORF56	Sulfolobus Islandicus	Main	3FT7	B	23	ASP	2.41								0.04	298 K	0-12.5	<60mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cbic.201800628
478	ORF56	Sulfolobus Islandicus	Main	3FT7	B	27	GLU	3.58			two entries for it are both wrong, should be 3.58; so one marked as “pKa NOT found in paper”, one got manually modified to the right pKa					0.05	298 K	0-12.5	<60mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cbic.201800628
479	ORF56	Sulfolobus Islandicus	Main	3FT7	B	30	LYS	11.18								0.09	298 K	0-12.5	<60mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cbic.201800628
480	ORF56	Sulfolobus Islandicus	Main	3FT7	B	31	GLU	4.59								0.04	298 K	0-12.5	<60mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cbic.201800628
481	ORF56	Sulfolobus Islandicus	Main	3FT7	B	32	LYS	10.43								0.06	298 K	0-12.5	<60mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cbic.201800628
482	ORF56	Sulfolobus Islandicus	Main	3FT7	B	38	ASP	2.8								0.03	298 K	0-12.5	<60mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cbic.201800628
483	ORF56	Sulfolobus Islandicus	Main	3FT7	B	40	CYS	>14.9							pKa: range or ~		298 K	0-12.5	<60mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cbic.201800628
484	ORF56	Sulfolobus Islandicus	Main	3FT7	B	45	LYS	11.84								0.09	298 K	0-12.5	<60mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cbic.201800628
485	ORF56	Sulfolobus Islandicus	Main	3FT7	B	46	GLU	2.56								0.04	298 K	0-12.5	<60mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cbic.201800628
486	ORF56	Sulfolobus Islandicus	Main	3FT7	B	49	ASP	2.56								0.04	298 K	0-12.5	<60mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cbic.201800628
487	ORF56	Sulfolobus Islandicus	Main	3FT7	B	51	HIS	6.94								0.03	298 K	0-12.5	<60mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cbic.201800628
488	ORF56	Sulfolobus Islandicus	Main	3FT7	B	52	ASP	2.88								0.03	298 K	0-12.5	<60mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cbic.201800628
489	ORF56	Sulfolobus Islandicus	Main	3FT7	B	53	LYS	10.38							ResID NOT exist	0.11	298 K	0-12.5	<60mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cbic.201800628
490	ORF56	Sulfolobus Islandicus	Main	3FT7	B	55	LYS	11.77							ResID NOT exist	0.1	298 K	0-12.5	<60mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cbic.201800628
491	ORF56	Sulfolobus Islandicus	Main	3FT7	B	56	LYS	11.44							ResID NOT exist	0.1	298 K	0-12.5	<60mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cbic.201800628
492	Ovomucoid, Third Domain	Turkey	Main	1PPF	I	7	ASP	2.67		2OVO		2BUS.A				0.06	298 K	7.3-7.6	10 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/7718577
493	Ovomucoid, Third Domain	Turkey	Main	1PPF	I	10	GLU	4.14		2OVO		2BUS.A				0.06	298 K	7.3-7.6	10 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/7718577
494	Ovomucoid, Third Domain	Turkey	Main	1PPF	I	11	TYR	10.16		2OVO		2BUS.A				0.05	298 K	5.0-12.7	0.015 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/9628726
495	Ovomucoid, Third Domain	Turkey	Main	1PPF	I	13	LYS	9.87		2OVO		2BUS.A				0.04	298 K	5.0-13.0	0.5 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/9628726
496	Ovomucoid, Third Domain	Turkey	Main	1PPF	I	19	GLU	3.21		2OVO		2BUS.A				0.02	298 K	7.3-7.6	10 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/7718577
497	Ovomucoid, Third Domain	Turkey	Main	1PPF	I	20	TYR	11.07		2OVO		2BUS.A				0.11	298 K	5.0-12.7	0.015 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/9628726
498	Ovomucoid, Third Domain	Turkey	Main	1PPF	I	27	ASP	2.3		2OVO		2BUS.A				0.06	298 K	7.3-7.6	10 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/7718577
499	Ovomucoid, Third Domain	Turkey	Main	1PPF	I	29	LYS	11.12		2OVO		2BUS.A				0.02-0.07	298 K	5.0-13.0	0.015 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/9628726
500	Ovomucoid, Third Domain	Turkey	Main	1PPF	I	31	TYR	>12.5		2OVO		2BUS.A			pKa: range or ~		298 K	5.0-12.7	0.015 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/9628726
501	Ovomucoid, Third Domain	Turkey	Main	1PPF	I	34	LYS	10.13		2OVO		2BUS.A				0.05	298 K	5.0-13.0	0.015 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/9628726
502	Ovomucoid, Third Domain	Turkey	Main	1PPF	I	43	GLU	4.81		2OVO		2BUS.A				0.1	298 K	7.3-7.6	10 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/7718577
503	Ovomucoid, Third Domain	Turkey	Main	1PPF	I	52	HIS	7.5		2OVO		2BUS.A					298 K	5.0-13.0	0.015 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/9628726
504	Ovomucoid, Third Domain	Turkey	Main	1PPF	I	55	LYS	11.1		2OVO		2BUS.A				0.06	298 K	5.0-13.0	0.015 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/9628726
505	Pancreatic Trypsin Inhibitor	Bovine	Main	1BPI	A	1	N-term	8.1		1BHC, 1D0D		4PTI.A	4PTI.A		C/N-term	0.1	293 K	0-16	200 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
506	Pancreatic Trypsin Inhibitor	Bovine	Main	1BPI	A	3	ASP	3		1BHC, 1D0D		4PTI.A	4PTI.A			0.1	293 K	0-16	200 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
507	Pancreatic Trypsin Inhibitor	Bovine	Main	1BPI	A	7	GLU	3.7		1BHC, 1D0D		4PTI.A	4PTI.A			0.1	293 K	0-16	200 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
508	Pancreatic Trypsin Inhibitor	Bovine	Main	1BPI	A	15	LYS	10.6		1BHC, 1D0D		4PTI.A	4PTI.A			0.1	293 K	0-16	200 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
509	Pancreatic Trypsin Inhibitor	Bovine	Main	1BPI	A	26	LYS	10.6		1BHC, 1D0D		4PTI.A	4PTI.A			0.1	293 K	0-16	200 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
510	Pancreatic Trypsin Inhibitor	Bovine	Main	1BPI	A	41	LYS	10.8		1BHC, 1D0D		4PTI.A	4PTI.A			0.1	293 K	0-16	200 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
511	Pancreatic Trypsin Inhibitor	Bovine	Main	1BPI	A	46	LYS	10.6		1BHC, 1D0D		4PTI.A	4PTI.A			0.1	293 K	0-16	200 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
512	Pancreatic Trypsin Inhibitor	Bovine	Main	1BPI	A	49	GLU	3.8		1BHC, 1D0D		4PTI.A	4PTI.A			0.1	293 K	0-16	200 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
513	Pancreatic Trypsin Inhibitor	Bovine	Main	1BPI	A	50	ASP	3.4		1BHC, 1D0D		4PTI.A	4PTI.A			0.1	293 K	0-16	200 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
514	Pancreatic Trypsin Inhibitor	Bovine	Main	1BPI	A	58	C-term	2.9		1BHC, 1D0D		4PTI.A	4PTI.A		C/N-term	0.1	293 K	0-16	200 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
515	Papain	Carica Papaya	Main	1PPN	A	25	CYS	3.32				1PPO.A					98 K		0.1 M	Spectrophotometric titration	https://www.ncbi.nlm.nih.gov/pubmed/9254592
516	Papaya Protease Omega	Carica Papaya	Main	1PPO	A	25	CYS	2.88				1PPN.A				0.02	298 K		0.1 M	Reaction kinetics	https://pubs.acs.org/doi/abs/10.1021/bi9705974
517	PHL P 6	Phleum Pratense	Main	1NLX	A	407	GLU	4.25									298K	2.2-8.5	10mM	NMR	https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00540
518	PHL P 6	Phleum Pratense	Main	1NLX	A	408	GLU	3.19									298K	2.2-8.5	10mM	NMR	https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00540
519	PHL P 6	Phleum Pratense	Main	1NLX	A	413	GLU	3.8									298K	2.2-8.5	10mM	NMR	https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00540
520	PHL P 6	Phleum Pratense	Main	1NLX	A	414	ASP	3.5									298K	2.2-8.5	10mM	NMR	https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00540
521	PHL P 6	Phleum Pratense	Main	1NLX	A	433	ASP	3.38									298K	2.2-8.5	10mM	NMR	https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00540
522	PHL P 6	Phleum Pratense	Main	1NLX	A	439	GLU	4.84									298K	2.2-8.5	10mM	NMR	https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00540
523	PHL P 6	Phleum Pratense	Main	1NLX	A	452	ASP	2.4									298K	2.2-8.5	10mM	NMR	https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00540
524	PHL P 6	Phleum Pratense	Main	1NLX	A	465	ASP	4.8									298K	2.2-8.5	10mM	NMR	https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00540
525	PHL P 6	Phleum Pratense	Main	1NLX	A	466	GLU	4.06									298K	2.2-8.5	10mM	NMR	https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00540
526	PHL P 6	Phleum Pratense	Main	1NLX	A	476	ASP	3.5									298K	2.2-8.5	10mM	NMR	https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00540
527	PHL P 6	Phleum Pratense	Main	1NLX	A	477	HIS	7.4									298K	2.2-8.5	10mM	NMR	https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00540
528	PHL P 6	Phleum Pratense	Main	1NLX	A	481	GLU	3.52									298K	2.2-8.5	10mM	NMR	https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00540
529	PHL P 6	Phleum Pratense	Main	1NLX	A	482	ASP	3.06									298K	2.2-8.5	10mM	NMR	https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00540
530	PHL P 6	Phleum Pratense	Main	1NLX	A	485	GLU	4.59									298K	2.2-8.5	10mM	NMR	https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00540
531	PHL P 6	Phleum Pratense	Main	1NLX	A	490	HIS	7.3									298K	2.2-8.5	10mM	NMR	https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00540
532	PHL P 6	Phleum Pratense	Main	1NLX	A	493	GLU	4.21									298K	2.2-8.5	10mM	NMR	https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00540
533	PHL P 6	Phleum Pratense	Main	1NLX	A	503	GLU	3.65									298K	2.2-8.5	10mM	NMR	https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00540
534	PHL P 6	Phleum Pratense	Main	1NLX	A	505	HIS	6.5									298K	2.2-8.5	10mM	NMR	https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00540
535	Phosphocarrier Protein HPr	Escherichia Coli	Main	1POH	A	76	HIS	6									308 K	4.2-11.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/6809041
536	Phospholipase C	Bacillus Cereus	Main	1GYM	A	32	HIS	7.6		1PTD							298 K	4.0-9.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/9300493
537	Phospholipase C	Bacillus Cereus	Main	1GYM	A	82	HIS	6.9		1PTD							298 K	4.0-9.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/9300493
538	Phospholipase C	Bacillus Cereus	Main	1GYM	A	92	HIS	5.4		1PTD							298 K	4.0-9.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/9300493
539	Phospholipase C	Bacillus Cereus	Main	1GYM	A	227	HIS	6.9		1PTD							298 K	4.0-9.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/9300493
540	Phosphonoacetaldehyde Hydrolase	Bacillus Cereus	Main	1FEZ	A	53	LYS	9.3									303 K	8.5-10.0	10 mM	Potentiometric titration	https://pubs.acs.org/doi/abs/10.1021/bi026388n
541	Photosystem Ii	Thermostichus Vulcanus	Main	3WU2	O	23	ASP	3.41								0.05	300K	3.1-7.9	20mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/pdfdirect/10.1002/cbic.201900739
542	Photosystem Ii	Thermostichus Vulcanus	Main	3WU2	O	24	ASP	3.06								0.03	300K	3.1-7.9	20mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/pdfdirect/10.1002/cbic.201900739
543	Photosystem Ii	Thermostichus Vulcanus	Main	3WU2	O	33	ASP	3.47								0.05	300K	3.1-7.9	20mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/pdfdirect/10.1002/cbic.201900739
544	Photosystem Ii	Thermostichus Vulcanus	Main	3WU2	O	54	GLU	4.47								0.06	300K	3.1-7.9	20mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/pdfdirect/10.1002/cbic.201900739
545	Photosystem Ii	Thermostichus Vulcanus	Main	3WU2	O	64	GLU	4.17								0.04	300K	3.1-7.9	20mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/pdfdirect/10.1002/cbic.201900739
546	Photosystem Ii	Thermostichus Vulcanus	Main	3WU2	O	74	GLU	3.37								0.05	300K	3.1-7.9	20mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/pdfdirect/10.1002/cbic.201900739
547	Photosystem Ii	Thermostichus Vulcanus	Main	3WU2	O	84	GLU	4.64								0.07	300K	3.1-7.9	20mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/pdfdirect/10.1002/cbic.201900739
548	Photosystem Ii	Thermostichus Vulcanus	Main	3WU2	O	90	ASP	1.56								0.14	300K	3.1-7.9	20mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/pdfdirect/10.1002/cbic.201900739
549	Photosystem Ii	Thermostichus Vulcanus	Main	3WU2	O	98	GLU	4.99								0.04	300K	3.1-7.9	20mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/pdfdirect/10.1002/cbic.201900739
550	Photosystem Ii	Thermostichus Vulcanus	Main	3WU2	O	114	GLU	3.81								0.08	300K	3.1-7.9	20mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/pdfdirect/10.1002/cbic.201900739
551	Photosystem Ii	Thermostichus Vulcanus	Main	3WU2	O	141	ASP	4.89								0.03	300K	3.1-7.9	20mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/pdfdirect/10.1002/cbic.201900739
552	Photosystem Ii	Thermostichus Vulcanus	Main	3WU2	O	145	GLU	4.52								0.04	300K	3.1-7.9	20mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/pdfdirect/10.1002/cbic.201900739
553	Photosystem Ii	Thermostichus Vulcanus	Main	3WU2	O	205	ASP	3.45								0.09	300K	3.1-7.9	20mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/pdfdirect/10.1002/cbic.201900739
554	Photosystem Ii	Thermostichus Vulcanus	Main	3WU2	O	210	GLU	2.66								0.12	300K	3.1-7.9	20mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/pdfdirect/10.1002/cbic.201900739
555	Photosystem Ii	Thermostichus Vulcanus	Main	3WU2	O	216	GLU	3.91								0.1	300K	3.1-7.9	20mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/pdfdirect/10.1002/cbic.201900739
556	Photosystem Ii	Thermostichus Vulcanus	Main	3WU2	O	218	GLU	5.13								0.07	300K	3.1-7.9	20mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/pdfdirect/10.1002/cbic.201900739
557	Photosystem Ii	Thermostichus Vulcanus	Main	3WU2	O	232	GLU	4.2								0.1	300K	3.1-7.9	20mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/pdfdirect/10.1002/cbic.201900739
558	Photosystem Ii	Thermostichus Vulcanus	Main	3WU2	O	244	GLU	4.97								0.08	300K	3.1-7.9	20mM	NMR	https://chemistry-europe.onlinelibrary.wiley.com/doi/pdfdirect/10.1002/cbic.201900739
559	Proteinase Inhibitor	Bull	Main	2BUS	A	6	ASP	4		1BUS	18°C; Both 1BUS and 2BUS are SOLUTION NMR structures, 2BUS is slightly better according to wwPDB Validation on RCSB PDB website.	1PPF.I					291 K	3.0-6.0	0.1 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/6094827
560	Proteinase Inhibitor	Bull	Alt. pKa	2BUS	A	6	ASP	4.1			45°C; Both 1BUS and 2BUS are SOLUTION NMR structures, 2BUS is slightly better according to wwPDB Validation on RCSB PDB website.	1PPF.I					318 K	3.0-6.0	0.1 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/6094827
561	Proteinase Inhibitor	Bull	Main	2BUS	A	9	GLU	4.3		1BUS	18°C; Both 1BUS and 2BUS are SOLUTION NMR structures, 2BUS is slightly better according to wwPDB Validation on RCSB PDB website.	1PPF.I					291 K	3.0-6.0	0.1 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/6094827
562	Proteinase Inhibitor	Bull	Alt. pKa	2BUS	A	9	GLU	4.5			45°C; Both 1BUS and 2BUS are SOLUTION NMR structures, 2BUS is slightly better according to wwPDB Validation on RCSB PDB website.	1PPF.I					318 K	3.0-6.0	0.1 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/6094827
563	Proteinase Inhibitor	Bull	Main	2BUS	A	12	ASP	3.6		1BUS	18°C; Both 1BUS and 2BUS are SOLUTION NMR structures, 2BUS is slightly better according to wwPDB Validation on RCSB PDB website.	1PPF.I					291 K	3.0-6.0	0.1 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/6094827
564	Proteinase Inhibitor	Bull	Main	2BUS	A	20	GLU	4.1		1BUS	18°C; Both 1BUS and 2BUS are SOLUTION NMR structures, 2BUS is slightly better according to wwPDB Validation on RCSB PDB website.	1PPF.I					291 K	3.0-6.0	0.1 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/6094827
565	Proteinase Inhibitor	Bull	Alt. pKa	2BUS	A	20	GLU	4.4			45°C; Both 1BUS and 2BUS are SOLUTION NMR structures, 2BUS is slightly better according to wwPDB Validation on RCSB PDB website.	1PPF.I					318 K	3.0-6.0	0.1 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/6094827
566	Proteinase Inhibitor	Streptomyces Albogriseolus	Main	3SSI	A	43	HIS	3.25									303 K	2.0-9.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/6998977
567	Proteinase Inhibitor	Streptomyces Albogriseolus	Main	3SSI	A	106	HIS	6								0.1	303 K	2.0-9.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/6998977
568	Proteorhodopsin	Uncultured Marine Gamma Proteobacterium Ebac31A08	Main	2L6X	A	97	ASP	6.43			POPC/POPG (80/20); diff salt conc								150mM	NMR	https://pubmed.ncbi.nlm.nih.gov/32197061/
569	Proteorhodopsin	Uncultured Marine Gamma Proteobacterium Ebac31A08	Alt. pKa	2L6X	A	97	ASP	6.14			POPC/DOTAP (80/20); diff salt conc								75mM	NMR	https://pubmed.ncbi.nlm.nih.gov/32197061/
570	Proteorhodopsin	Uncultured Marine Gamma Proteobacterium Ebac31A08	Alt. pKa	2L6X	A	97	ASP	5.63			POPC/DOTAP (80/20); diff salt conc								0	NMR	https://pubmed.ncbi.nlm.nih.gov/32197061/
571	Proteorhodopsin	Uncultured Marine Gamma Proteobacterium Ebac31A08	Alt. pKa	2L6X	A	97	ASP	5.9			POPC/DOTAP (80/20); diff salt conc								30mM	NMR	https://pubmed.ncbi.nlm.nih.gov/32197061/
572	Proteorhodopsin	Uncultured Marine Gamma Proteobacterium Ebac31A08	Alt. pKa	2L6X	A	97	ASP	6.62			POPC/POPG (80/20); diff salt conc								80mM	NMR	https://pubmed.ncbi.nlm.nih.gov/32197061/
573	Proteorhodopsin	Uncultured Marine Gamma Proteobacterium Ebac31A08	Alt. pKa	2L6X	A	97	ASP	6.51			POPC/POPG (80/20); diff salt conc								120mM	NMR	https://pubmed.ncbi.nlm.nih.gov/32197061/
574	Proteorhodopsin	Uncultured Marine Gamma Proteobacterium Ebac31A08	Alt. pKa	2L6X	A	97	ASP	7.62			POPC/POPG (80/20); diff salt conc								0	NMR	https://pubmed.ncbi.nlm.nih.gov/32197061/
575	Proteorhodopsin	Uncultured Marine Gamma Proteobacterium Ebac31A08	Alt. pKa	2L6X	A	97	ASP	6.79			POPC/POPG (80/20); diff salt conc								50mM	NMR	https://pubmed.ncbi.nlm.nih.gov/32197061/
576	Protein tyrosine phosphatase 1B	Human	Main	2HNP	A	215	CYS	5.57								0.12	303 K	4.5-9.0	1 M	Reaction kinetics	https://pubs.acs.org/doi/abs/10.1021/bi963094r
577	Protein tyrosine phosphatase 1B	Yersinia	Main	1YPT	A	403	CYS	4.67								0.15	298 K	4.0-6.5	0.15 M	Reaction kinetics	https://pubs.acs.org/doi/abs/10.1021/bi00087a012
578	Protein tyrosine phosphatase 1B	Bovine	Main	1DG9	A	66	HIS	8.33		1PNT, 1Z12	Manually-created “Main” entry, using avg pKa measured under very similar conditions from two papers (with one common author)									1H NMR
579	Protein tyrosine phosphatase 1B	Bovine	Alt. pKa	1DG9	A	66	HIS	8.36			1H NMR, Davis1994 (one common author with Tish1997)						298 K	4.8-10.0	100 mM	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00171a031
580	Protein tyrosine phosphatase 1B	Bovine	Alt. pKa	1DG9	A	66	HIS	8.29			1H NMR, Tish1997 (one common author with Davis1994)					0.01	298 K	5.0-10.5	0.1 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi9712448
581	Protein tyrosine phosphatase 1B	Bovine	Main	1DG9	A	72	HIS	9.19		1PNT, 1Z12	from Tish1997					0.01	298 K	5.0-10.5	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi9712448
582	Protein tyrosine phosphatase 1B	Bovine	Alt. pKa	1DG9	A	72	HIS	9.19			from Tabe1999						298 K	4.8-10.0	100 mM	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi990381x
583	resA	B. Subtilis	Main	1ST9	A	73	CYS	8.8			Note the the resid in pka paper is 74, it’s the same residue as its alternative entries though resid seems different	1SU9.A,2H19.A,2H1A.A,2H1B.A,3C71.A,3C73.A	1SU9.A,2H19.A,2H1A.A,2H1B.A,3C71.A,3C73.A	74.0						pH dependence of reaction rate with alkylating agent badan – monitored by fluorescence	https://doi.org/10.1089/ars.2012.4521
584	resA	B. Subtilis	Alt. pKa (mutant)	3C71	A	74	CYS	6.3	E75P/P76H			1ST9.A,1SU9.A,2H19.A,2H1A.A,2H1B.A,3C73.A	1ST9.A,1SU9.A,2H19.A,2H1A.A,2H1B.A,3C73.A							pH dependence of reaction rate with alkylating agent badan – monitored by fluorescence	https://doi.org/10.1089/ars.2012.4521
585	resA	B. Subtilis	Alt. pKa (mutant)	3C73	A	74	CYS	7.4	P76H			1ST9.A,1SU9.A,2H19.A,2H1A.A,2H1B.A,3C71.A	1ST9.A,1SU9.A,2H19.A,2H1A.A,2H1B.A,3C71.A							pH dependence of reaction rate with alkylating agent badan – monitored by fluorescence	https://doi.org/10.1089/ars.2012.4521
586	resA	B. Subtilis	Alt. pKa (mutant)	2H19	A	74	CYS	8.48	C77A			1ST9.A,1SU9.A,2H1A.A,2H1B.A,3C71.A,3C73.A	1ST9.A,1SU9.A,2H1A.A,2H1B.A,3C71.A,3C73.A							pH dependence of reaction rate with alkylating agent badan – monitored by fluorescence	https://doi.org/10.1089/ars.2012.4521
587	resA	B. Subtilis	Main	1SU9	A	76	CYS	8.2		1ST9	Note the the resid in pka paper is 77, it’s the same residue as its alternative entries though resid seems different	1ST9.A,2H19.A,2H1A.A,2H1B.A,3C71.A,3C73.A	1ST9.A,2H19.A,2H1A.A,2H1B.A,3C71.A,3C73.A	77.0						pH dependence of reaction of cysteine side chains with alkylating reagents	https://pubmed.ncbi.nlm.nih.gov/18422485/
588	resA	B. Subtilis	Alt. pKa	1SU9	A	76	CYS	8.2			from another paper	1ST9.A,2H19.A,2H1A.A,2H1B.A,3C71.A,3C73.A	1ST9.A,2H19.A,2H1A.A,2H1B.A,3C71.A,3C73.A	77.0						pH dependence of reaction rate with alkylating agent badan – monitored by fluorescence	https://pubmed.ncbi.nlm.nih.gov/16971393/
589	resA	B. Subtilis	Alt. pKa (mutant)	3C71	A	77	CYS	5.7	E75P/P76H			1ST9.A,1SU9.A,2H19.A,2H1A.A,2H1B.A,3C73.A	1ST9.A,1SU9.A,2H19.A,2H1A.A,2H1B.A,3C73.A							pH dependence of reaction rate with alkylating agent badan – monitored by fluorescence	https://doi.org/10.1089/ars.2012.4521
590	resA	B. Subtilis	Alt. pKa (mutant)	3C73	A	77	CYS	7.5	P76H			1ST9.A,1SU9.A,2H19.A,2H1A.A,2H1B.A,3C71.A	1ST9.A,1SU9.A,2H19.A,2H1A.A,2H1B.A,3C71.A							pH dependence of reaction rate with alkylating agent badan – monitored by fluorescence	https://doi.org/10.1089/ars.2012.4521
591	resA	B. Subtilis	Alt. pKa (mutant)	2H1B	A	77	CYS	7.4	E80Q			1ST9.A,1SU9.A,2H19.A,2H1A.A,3C71.A,3C73.A	1ST9.A,1SU9.A,2H19.A,2H1A.A,3C71.A,3C73.A							pH dependence of reaction rate with alkylating agent badan – monitored by fluorescence	https://doi.org/10.1089/ars.2012.4521
592	resA	B. Subtilis	Alt. pKa (mutant)	2H1A	A	77	CYS	8.36	C74A			1ST9.A,1SU9.A,2H19.A,2H1B.A,3C71.A,3C73.A	1ST9.A,1SU9.A,2H19.A,2H1B.A,3C71.A,3C73.A			0.05				pH dependence of reaction rate with alkylating agent badan – monitored by fluorescence	https://doi.org/10.1089/ars.2012.4521, https://www.jbc.org/article/S0021-9258(19)35024-0/fulltext
593	resA	B. Subtilis	Alt. pKa (mutant)	2H1A	A	77	CYS	8.3	C74A			1ST9.A,1SU9.A,2H19.A,2H1B.A,3C71.A,3C73.A	1ST9.A,1SU9.A,2H19.A,2H1B.A,3C71.A,3C73.A			0.1				pH dependence of reaction rate with iodoacetate	https://doi.org/10.1089/ars.2012.4521, https://www.jbc.org/article/S0021-9258(19)35024-0/fulltext
594	Ribonuclease	Escherichia Coli	Main	2RN2	A	6	GLU	4.5		1GOA, 1RDD							300 K	2.0-8.0	0.1 M	13C NMR	https://pubs.acs.org/doi/abs/10.1021/bi00183a034
595	Ribonuclease	Escherichia Coli	Main	2RN2	A	10	ASP	6.1		1GOA, 1RDD							300 K	2.0-8.0	0.1 M	13C NMR	https://pubs.acs.org/doi/abs/10.1021/bi00183a034
596	Ribonuclease	Escherichia Coli	Main	2RN2	A	32	GLU	3.6		1GOA, 1RDD							300 K	2.0-8.0	0.1 M	13C NMR	https://pubs.acs.org/doi/abs/10.1021/bi00183a034
597	Ribonuclease	Escherichia Coli	Main	2RN2	A	48	GLU	4.4		1GOA, 1RDD							300 K	2.0-8.0	0.1 M	13C NMR	https://pubs.acs.org/doi/abs/10.1021/bi00183a034
598	Ribonuclease	Escherichia Coli	Main	2RN2	A	57	GLU	3.2		1GOA, 1RDD							300 K	2.0-8.0	0.1 M	13C NMR	https://pubs.acs.org/doi/abs/10.1021/bi00183a034
599	Ribonuclease	Escherichia Coli	Main	2RN2	A	61	GLU	3.9		1GOA, 1RDD							300 K	2.0-8.0	0.1 M	13C NMR	https://pubs.acs.org/doi/abs/10.1021/bi00183a034
600	Ribonuclease	Escherichia Coli	Main	2RN2	A	62	HIS	7		1GOA, 1RDD							300 K	3.5-10.0	0.1 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/8380173
601	Ribonuclease	Escherichia Coli	Main	2RN2	A	64	GLU	4.4		1GOA, 1RDD							300 K	2.0-8.0	0.1 M	13C NMR	https://pubs.acs.org/doi/abs/10.1021/bi00183a034
602	Ribonuclease	Escherichia Coli	Main	2RN2	A	70	ASP	2.6		1GOA, 1RDD							300 K	2.0-8.0	0.1 M	13C NMR	https://pubs.acs.org/doi/abs/10.1021/bi00183a034
603	Ribonuclease	Escherichia Coli	Main	2RN2	A	83	HIS	~5.5		1GOA, 1RDD					pKa: range or ~		300 K	3.5-10.0	0.1 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/8380173
604	Ribonuclease	Escherichia Coli	Main	2RN2	A	94	ASP	3.2		1GOA, 1RDD							300 K	2.0-8.0	0.1 M	13C NMR	https://pubs.acs.org/doi/abs/10.1021/bi00183a034
605	Ribonuclease	Escherichia Coli	Main	2RN2	A	102	ASP	<2		1GOA, 1RDD					pKa: range or ~		300 K	2.0-8.0	0.1 M	13C NMR	https://pubs.acs.org/doi/abs/10.1021/bi00183a034
606	Ribonuclease	Escherichia Coli	Main	2RN2	A	108	ASP	3.2		1GOA, 1RDD							300 K	2.0-8.0	0.1 M	13C NMR	https://pubs.acs.org/doi/abs/10.1021/bi00183a034
607	Ribonuclease	Escherichia Coli	Main	2RN2	A	114	HIS	<5		1GOA, 1RDD					pKa: range or ~		300 K	3.5-10.0	0.1 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/8380173
608	Ribonuclease	Escherichia Coli	Main	2RN2	A	119	GLU	4.1		1GOA, 1RDD							300 K	2.0-8.0	0.1 M	13C NMR	https://pubs.acs.org/doi/abs/10.1021/bi00183a034
609	Ribonuclease	Escherichia Coli	Main	2RN2	A	124	HIS	7.1		1GOA, 1RDD							300 K	3.5-10.0	0.1 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/8380173
610	Ribonuclease	Escherichia Coli	Main	2RN2	A	127	HIS	7.9		1GOA, 1RDD							300 K	3.5-10.0	0.1 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/8380173
611	Ribonuclease	Escherichia Coli	Main	2RN2	A	129	GLU	3.6		1GOA, 1RDD							300 K	2.0-8.0	0.1 M	13C NMR	https://pubs.acs.org/doi/abs/10.1021/bi00183a034
612	Ribonuclease	Escherichia Coli	Main	2RN2	A	131	GLU	4.3		1GOA, 1RDD							300 K	2.0-8.0	0.1 M	13C NMR	https://pubs.acs.org/doi/abs/10.1021/bi00183a034
613	Ribonuclease	Escherichia Coli	Main	2RN2	A	134	ASP	4.1		1GOA, 1RDD							300 K	2.0-8.0	0.1 M	13C NMR	https://pubs.acs.org/doi/abs/10.1021/bi00183a034
614	Ribonuclease	Escherichia Coli	Main	2RN2	A	135	GLU	4.3		1GOA, 1RDD							300 K	2.0-8.0	0.1 M	13C NMR	https://pubs.acs.org/doi/abs/10.1021/bi00183a034
615	Ribonuclease	Escherichia Coli	Main	2RN2	A	147	GLU	4.2		1GOA, 1RDD							300 K	2.0-8.0	0.1 M	13C NMR	https://pubs.acs.org/doi/abs/10.1021/bi00183a034
616	Ribonuclease	Escherichia Coli	Main	2RN2	A	148	ASP	<2		1GOA, 1RDD					pKa: range or ~		300 K	2.0-8.0	0.1 M	13C NMR	https://pubs.acs.org/doi/abs/10.1021/bi00183a034
617	Ribonuclease	Escherichia Coli	Main	2RN2	A	154	GLU	4.4		1GOA, 1RDD							300 K	2.0-8.0	0.1 M	13C NMR	https://pubs.acs.org/doi/abs/10.1021/bi00183a034
618	Ribonuclease	Aspergillus Oryzae	Main	9RNT	A	1	N-term	8.1		1BVI, 1I0V, 1RGA, 1YGW					C/N-term	0.1	308 K	2.0-9.0	1 M	13C NMR	https://link.springer.com/article/10.1007/s002490100138
619	Ribonuclease	Aspergillus Oryzae	Main	9RNT	A	3	ASP	3.54		1BVI, 1I0V, 1RGA, 1YGW						0.02	308 K	2.0-9.0	1 M	13C NMR	https://link.springer.com/article/10.1007/s002490100138
620	Ribonuclease	Aspergillus Oryzae	Main	9RNT	A	15	ASP	3.52		1BVI, 1I0V, 1RGA, 1YGW						0.02-0.07	308 K	2.0-9.0	1 M	13C NMR	https://link.springer.com/article/10.1007/s002490100138
621	Ribonuclease	Aspergillus Oryzae	Main	9RNT	A	27	HIS	7.57		1BVI, 1I0V, 1RGA, 1YGW						0.12	308 K	2.0-9.0	1 M	13C NMR	https://link.springer.com/article/10.1007/s002490100138
622	Ribonuclease	Aspergillus Oryzae	Main	9RNT	A	28	GLU	5.61		1BVI, 1I0V, 1RGA, 1YGW						0.03	308 K	2.0-9.0	1 M	13C NMR	https://link.springer.com/article/10.1007/s002490100138
623	Ribonuclease	Aspergillus Oryzae	Main	9RNT	A	29	ASP	4.26		1BVI, 1I0V, 1RGA, 1YGW						0.03	308 K	2.0-9.0	1 M	13C NMR	https://link.springer.com/article/10.1007/s002490100138
624	Ribonuclease	Aspergillus Oryzae	Main	9RNT	A	31	GLU	5.36		1BVI, 1I0V, 1RGA, 1YGW						0.07	308 K	2.0-9.0	1 M	13C NMR	https://link.springer.com/article/10.1007/s002490100138
625	Ribonuclease	Aspergillus Oryzae	Main	9RNT	A	40	HIS	7.44		1BVI, 1I0V, 1RGA, 1YGW						0.05-4	308 K	2.0-9.0	1 M	13C NMR	https://link.springer.com/article/10.1007/s002490100138
626	Ribonuclease	Aspergillus Oryzae	Main	9RNT	A	46	GLU	3.62		1BVI, 1I0V, 1RGA, 1YGW						0.04	308 K	2.0-9.0	1 M	13C NMR	https://link.springer.com/article/10.1007/s002490100138
627	Ribonuclease	Aspergillus Oryzae	Main	9RNT	A	49	ASP	4.22		1BVI, 1I0V, 1RGA, 1YGW						0.05	308 K	2.0-9.0	1 M	13C NMR	https://link.springer.com/article/10.1007/s002490100138
628	Ribonuclease	Aspergillus Oryzae	Main	9RNT	A	58	GLU	3.96		1BVI, 1I0V, 1RGA, 1YGW						0.03	308 K	2.0-9.0	1 M	13C NMR	https://link.springer.com/article/10.1007/s002490100138
629	Ribonuclease	Aspergillus Oryzae	Main	9RNT	A	66	ASP	3.9		1BVI, 1I0V, 1RGA, 1YGW						0.01	308 K	2.0-9.0	1 M	13C NMR	https://link.springer.com/article/10.1007/s002490100138
630	Ribonuclease	Aspergillus Oryzae	Main	9RNT	A	76	ASP	0.5		1BVI, 1I0V, 1RGA, 1YGW							308 K	2.0-9.0	1 M	13C NMR	https://pubs.acs.org/doi/10.1021/bi991422s
631	Ribonuclease	Aspergillus Oryzae	Main	9RNT	A	82	GLU	3.27		1BVI, 1I0V, 1RGA, 1YGW						0.02	308 K	2.0-9.0	1 M	13C NMR	https://link.springer.com/article/10.1007/s002490100138
632	Ribonuclease	Aspergillus Oryzae	Main	9RNT	A	92	HIS	7.31		1BVI, 1I0V, 1RGA, 1YGW						0.04	308 K	2.0-9.0	1 M	13C NMR	https://link.springer.com/article/10.1007/s002490100138
633	Ribonuclease	Aspergillus Oryzae	Main	9RNT	A	102	GLU	5.3		1BVI, 1I0V, 1RGA, 1YGW						0.02	308 K	2.0-9.0	1 M	13C NMR	https://link.springer.com/article/10.1007/s002490100138
634	Ribonuclease	Aspergillus Giganteus	Main	1DE3	A	9	ASP	3.9								0.1	298 K	3.0-8.5	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi981672t
635	Ribonuclease	Aspergillus Giganteus	Main	1DE3	A	19	GLU	4.6								0.2	298 K	3.0-8.5	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi981672t
636	Ribonuclease	Aspergillus Giganteus	Main	1DE3	A	31	GLU	4.6								0.2	298 K	3.0-8.5	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi981672t
637	Ribonuclease	Aspergillus Giganteus	Main	1DE3	A	35	HIS	6.3								0.1	298 K	3.0-8.5	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi981672t
638	Ribonuclease	Aspergillus Giganteus	Main	1DE3	A	36	HIS	6.8								0.1	298 K	3.0-8.5	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi981672t
639	Ribonuclease	Aspergillus Giganteus	Main	1DE3	A	41	ASP	<3.0							pKa: range or ~		298 K	3.0-8.5	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi981672t
640	Ribonuclease	Aspergillus Giganteus	Main	1DE3	A	50	HIS	7.7								0.2	298 K	3.0-8.5	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi981672t
641	Ribonuclease	Aspergillus Giganteus	Main	1DE3	A	57	ASP	4.3								0.1	298 K	3.0-8.5	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi981672t
642	Ribonuclease	Aspergillus Giganteus	Main	1DE3	A	59	ASP	4.1								0.1	298 K	3.0-8.5	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi981672t
643	Ribonuclease	Aspergillus Giganteus	Main	1DE3	A	75	ASP	3.9								0.1	298 K	3.0-8.5	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi981672t
644	Ribonuclease	Aspergillus Giganteus	Main	1DE3	A	77	ASP	<3.0							pKa: range or ~		298 K	3.0-8.5	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi981672t
645	Ribonuclease	Aspergillus Giganteus	Main	1DE3	A	82	HIS	7.3								0.1	298 K	3.0-8.5	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi981672t
646	Ribonuclease	Aspergillus Giganteus	Main	1DE3	A	85	ASP	3.8								0.1	298 K	3.0-8.5	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi981672t
647	Ribonuclease	Aspergillus Giganteus	Main	1DE3	A	91	ASP	<3.0							pKa: range or ~		298 K	3.0-8.5	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi981672t
648	Ribonuclease	Aspergillus Giganteus	Main	1DE3	A	92	HIS	6.9								0.1	298 K	3.0-8.5	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi981672t
649	Ribonuclease	Aspergillus Giganteus	Main	1DE3	A	96	GLU	5.1								0.1	298 K	3.0-8.5	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi981672t
650	Ribonuclease	Aspergillus Giganteus	Main	1DE3	A	102	ASP	<3.0							pKa: range or ~		298 K	3.0-8.5	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi981672t
651	Ribonuclease	Aspergillus Giganteus	Main	1DE3	A	104	HIS	6.6								0.2	298 K	3.0-8.5	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi981672t
652	Ribonuclease	Aspergillus Giganteus	Main	1DE3	A	105	ASP	<3.0							pKa: range or ~		298 K	3.0-8.5	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi981672t
653	Ribonuclease	Aspergillus Giganteus	Main	1DE3	A	109	ASP	3.7								0.2	298 K	3.0-8.5	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi981672t
654	Ribonuclease	Aspergillus Giganteus	Main	1DE3	A	115	GLU	4.9								0.1	298 K	3.0-8.5	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi981672t
655	Ribonuclease	Aspergillus Giganteus	Main	1DE3	A	137	HIS	5.8								0.1	298 K	3.0-8.5	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi981672t
656	Ribonuclease	Aspergillus Giganteus	Main	1DE3	A	140	GLU	4.3								0.1	298 K	3.0-8.5	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi981672t
657	Ribonuclease	Aspergillus Giganteus	Main	1DE3	A	144	GLU	4.3								0.1	298 K	3.0-8.5	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi981672t
658	Ribonuclease	Aspergillus Giganteus	Main	1DE3	A	150	HIS	7.6								0.2	298 K	3.0-8.5	0.1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi981672t
659	Ribonuclease	Kitasatospora Aureofaciens	Main	1LNI	A	1	ASP	3.44		1RGG						0.02-0.07	293 K	1.68-8.83	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/12527309
660	Ribonuclease	Kitasatospora Aureofaciens	Main	1LNI	A	1	N-term	9.14		1RGG					C/N-term	0.02-0.07	293 K	1.68-8.83	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/12527309
661	Ribonuclease	Kitasatospora Aureofaciens	Main	1LNI	A	14	GLU	5.02		1RGG						0.02-0.07	293 K	1.68-8.83	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/12527309
662	Ribonuclease	Kitasatospora Aureofaciens	Main	1LNI	A	17	ASP	3.72		1RGG						0.02-0.07	293 K	1.68-8.83	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/12527309
663	Ribonuclease	Kitasatospora Aureofaciens	Main	1LNI	A	25	ASP	4.87		1RGG						0.02-0.07	293 K	1.68-8.83	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/12527309
664	Ribonuclease	Kitasatospora Aureofaciens	Main	1LNI	A	30	TYR	11.3		1RGG						0.02-0.07	293 K	1.78-7.25	0.1 M	NMR	https://www.sciencedirect.com/science/article/pii/S0022283602012731?via%3Dihub
665	Ribonuclease	Kitasatospora Aureofaciens	Main	1LNI	A	33	ASP	2.39		1RGG						0.02-0.07	293 K	1.68-8.83	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/12527309
666	Ribonuclease	Kitasatospora Aureofaciens	Main	1LNI	A	41	GLU	4.14		1RGG						0.02-0.07	293 K	1.68-8.83	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/12527309
667	Ribonuclease	Kitasatospora Aureofaciens	Main	1LNI	A	49	TYR	10.6		1RGG						0.02-0.07	293 K	1.78-7.25	0.1 M	NMR	https://www.sciencedirect.com/science/article/pii/S0022283602012731?via%3Dihub
668	Ribonuclease	Kitasatospora Aureofaciens	Main	1LNI	A	52	TYR	>11.5		1RGG					pKa: range or ~	0.02-0.07	293 K	1.78-7.25	0.1 M	NMR	https://www.sciencedirect.com/science/article/pii/S0022283602012731?via%3Dihub
669	Ribonuclease	Kitasatospora Aureofaciens	Main	1LNI	A	53	HIS	8.27		1RGG						0.02-0.07	293 K	1.68-8.83	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/12527309
670	Ribonuclease	Kitasatospora Aureofaciens	Main	1LNI	A	54	GLU	3.42		1RGG						0.02-0.07	293 K	1.78-7.25	0.1 M	NMR	https://www.sciencedirect.com/science/article/pii/S0022283602012731?via%3Dihub
671	Ribonuclease	Kitasatospora Aureofaciens	Main	1LNI	A	55	TYR	>11.5		1RGG					pKa: range or ~	0.02-0.07	293 K	1.78-7.25	0.1 M	NMR	https://www.sciencedirect.com/science/article/pii/S0022283602012731?via%3Dihub
672	Ribonuclease	Kitasatospora Aureofaciens	Main	1LNI	A	74	GLU	3.47		1RGG						0.02-0.07	293 K	1.68-8.83	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/12527309
673	Ribonuclease	Kitasatospora Aureofaciens	Main	1LNI	A	78	GLU	3.13		1RGG						0.02-0.07	293 K	1.68-8.83	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/12527309
674	Ribonuclease	Kitasatospora Aureofaciens	Main	1LNI	A	79	ASP	7.37		1RGG						0.02-0.07	293 K	1.68-8.83	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/12527309
675	Ribonuclease	Kitasatospora Aureofaciens	Main	1LNI	A	80	TYR	>11.5		1RGG					pKa: range or ~	0.02-0.07	293 K	1.78-7.25	0.1 M	NMR	https://www.sciencedirect.com/science/article/pii/S0022283602012731?via%3Dihub
676	Ribonuclease	Kitasatospora Aureofaciens	Main	1LNI	A	81	TYR	>11.5		1RGG					pKa: range or ~	0.02-0.07	293 K	1.78-7.25	0.1 M	NMR	https://www.sciencedirect.com/science/article/pii/S0022283602012731?via%3Dihub
677	Ribonuclease	Kitasatospora Aureofaciens	Main	1LNI	A	84	ASP	3.01		1RGG						0.02-0.07	293 K	1.68-8.83	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/12527309
678	Ribonuclease	Kitasatospora Aureofaciens	Main	1LNI	A	85	HIS	6.35		1RGG						0.02-0.07	293 K	1.68-8.83	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/12527309
679	Ribonuclease	Kitasatospora Aureofaciens	Main	1LNI	A	86	TYR	>11.5		1RGG					pKa: range or ~	0.02-0.07	293 K	1.78-7.25	0.1 M	NMR	https://www.sciencedirect.com/science/article/pii/S0022283602012731?via%3Dihub
680	Ribonuclease	Kitasatospora Aureofaciens	Main	1LNI	A	93	ASP	3.09		1RGG						0.02-0.07	293 K	1.68-8.83	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/12527309
681	Ribonuclease	Kitasatospora Aureofaciens	Main	1LNI	A	96	C-term	2.42		1RGG					C/N-term	0.02-0.07	293 K	1.68-8.83	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/12527309
682	Ribonuclease A	Bovine	Main	7RSA	A	1	N-term	7.6							C/N-term	0.2	293 K	1.5-11.0	30 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
683	Ribonuclease A	Bovine	Main	7RSA	A	2	GLU	2.75		1KF3, 1RNZ, 3RN3, 3SRN, 9RAT	This is an average pKa of values measured at two salt concentrations (30 mM and 1 M).					0.08	303 K	1.2-7.9	(calculated average)	NMR
684	Ribonuclease A	Bovine	Alt. pKa	7RSA	A	2	GLU	2.8								0.2	293 K	1.5-11.0	30 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
685	Ribonuclease A	Bovine	Alt. pKa	7RSA	A	2	GLU	2.7								0.08	303 K	1.2-7.9	1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/8615690
686	Ribonuclease A	Bovine	Main	7RSA	A	9	GLU	4		1KF3, 1RNZ, 3RN3, 3SRN, 9RAT	This is an average pKa of values measured at two salt concentrations (30 mM and 1 M).						303 K	1.2-7.9	(calculated average)	NMR
687	Ribonuclease A	Bovine	Alt. pKa	7RSA	A	9	GLU	4			from Anto1994					0.2	293 K	1.5-11.0	30 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
688	Ribonuclease A	Bovine	Alt. pKa	7RSA	A	9	GLU	4			from Baker1996						303 K	1.2-7.9	1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/8615690
689	Ribonuclease A	Bovine	Main	7RSA	A	12	HIS	6.08		1KF3, 1RNZ, 3RN3, 3SRN, 9RAT	This is an average pKa of values measured at two salt concentrations (30 mM and 1 M).					0.1	303 K	1.2-7.9	(calculated average)	NMR
690	Ribonuclease A	Bovine	Alt. pKa	7RSA	A	12	HIS	6.03								0.02	313 K	4.0-8.5	0.3 M	NMR	https://www.pnas.org/content/88/18/8116
691	Ribonuclease A	Bovine	Alt. pKa	7RSA	A	12	HIS	6.2								0.2	293 K	1.5-11.0	30 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
692	Ribonuclease A	Bovine	Alt. pKa	7RSA	A	12	HIS	6								0.1	303 K	1.2-7.9	1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/8615690
693	Ribonuclease A	Bovine	Main	7RSA	A	14	ASP	<2.0							pKa: range or ~		293 K	1.5-11.0	30 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
694	Ribonuclease A	Bovine	Main	7RSA	A	38	ASP	2.8		1KF3, 1RNZ, 3RN3, 3SRN, 9RAT	This is an average pKa of values measured at two salt concentrations (30 mM and 1 M).					0.1	303 K	1.2-7.9	(calculated average)	NMR
695	Ribonuclease A	Bovine	Alt. pKa	7RSA	A	38	ASP	3.5								0.2	293 K	1.5-11.0	30 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
696	Ribonuclease A	Bovine	Alt. pKa	7RSA	A	38	ASP	2.1								0.1	303 K	1.2-7.9	1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/8615690
697	Ribonuclease A	Bovine	Main	7RSA	A	48	HIS	6								0.2	293 K	1.5-11.0	30 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
698	Ribonuclease A	Bovine	Main	7RSA	A	49	GLU	4.5		1KF3, 1RNZ, 3RN3, 3SRN, 9RAT	This is an average pKa of values measured at two salt concentrations (30 mM and 1 M).					0.1	303 K	1.2-7.9	(calculated average)	NMR
699	Ribonuclease A	Bovine	Alt. pKa	7RSA	A	49	GLU	4.7								0.2	293 K	1.5-11.0	30 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
700	Ribonuclease A	Bovine	Alt. pKa	7RSA	A	49	GLU	4.3								0.1	303 K	1.2-7.9	1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/8615690
701	Ribonuclease A	Bovine	Main	7RSA	A	53	ASP	3.8		1KF3, 1RNZ, 3RN3, 3SRN, 9RAT	This is an average pKa of values measured at two salt concentrations (30 mM and 1 M).					0.1	303 K	1.2-7.9	(calculated average)	NMR
702	Ribonuclease A	Bovine	Alt. pKa	7RSA	A	53	ASP	3.9								0.2	293 K	1.5-11.0	30 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
703	Ribonuclease A	Bovine	Alt. pKa	7RSA	A	53	ASP	3.7								0.1	303 K	1.2-7.9	1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/8615690
704	Ribonuclease A	Bovine	Main	7RSA	A	83	ASP	3.4		1KF3, 1RNZ, 3RN3, 3SRN, 9RAT	This is an average pKa of values measured at two salt concentrations (30 mM and 1 M).					0.1	303 K	1.2-7.9	(calculated average)	NMR
705	Ribonuclease A	Bovine	Alt. pKa	7RSA	A	83	ASP	3.5								0.2	293 K	1.5-11.0	30 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
706	Ribonuclease A	Bovine	Alt. pKa	7RSA	A	83	ASP	3.3								0.1	303 K	1.2-7.9	1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/8615690
707	Ribonuclease A	Bovine	Main	7RSA	A	86	GLU	4.05		1KF3, 1RNZ, 3RN3, 3SRN, 9RAT	This is an average pKa of values measured at two salt concentrations (30 mM and 1 M).					0.1	303 K	1.2-7.9	(calculated average)	NMR
708	Ribonuclease A	Bovine	Alt. pKa	7RSA	A	86	GLU	4.1								0.2	293 K	1.5-11.0	30 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
709	Ribonuclease A	Bovine	Alt. pKa	7RSA	A	86	GLU	4								0.1	303 K	1.2-7.9	1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/8615690
710	Ribonuclease A	Bovine	Main	7RSA	A	105	HIS	6.67		1KF3, 1RNZ, 3RN3, 3SRN, 9RAT	This is an average pKa of values measured at two salt concentrations (30 mM and 1 M).					0.1	303 K	1.2-7.9	(calculated average)	NMR
711	Ribonuclease A	Bovine	Alt. pKa	7RSA	A	105	HIS	6.82								0.01	313 K	4.0-8.5	0.3 M	NMR	https://www.pnas.org/content/88/18/8116
712	Ribonuclease A	Bovine	Alt. pKa	7RSA	A	105	HIS	6.7								0.2	293 K	1.5-11.0	30 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
713	Ribonuclease A	Bovine	Alt. pKa	7RSA	A	105	HIS	6.5								0.1	303 K	1.2-7.9	1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/8615690
714	Ribonuclease A	Bovine	Main	7RSA	A	111	GLU	3.5		1KF3, 1RNZ, 3RN3, 3SRN, 9RAT	This is an average pKa of values measured at two salt concentrations (30 mM and 1 M).						303 K	1.2-7.9	(calculated average)	NMR
715	Ribonuclease A	Bovine	Alt. pKa	7RSA	A	111	GLU	3.5			from Anto1994					0.2	293 K	1.5-11.0	30 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
716	Ribonuclease A	Bovine	Alt. pKa	7RSA	A	111	GLU	3.5			from Baker1996						303 K	1.2-7.9	1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/8615690
717	Ribonuclease A	Bovine	Main	7RSA	A	119	HIS	6.31		1KF3, 1RNZ, 3RN3, 3SRN, 9RAT	This is an average pKa of values measured at two salt concentrations (30 mM and 1 M).					0.1	303 K	1.2-7.9	(calculated average)	NMR
718	Ribonuclease A	Bovine	Alt. pKa	7RSA	A	119	HIS	6.33								0.01	313 K	4.0-8.5	0.3 M	NMR	https://www.pnas.org/content/88/18/8116
719	Ribonuclease A	Bovine	Alt. pKa	7RSA	A	119	HIS	6.1								0.2	293 K	1.5-11.0	30 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
720	Ribonuclease A	Bovine	Alt. pKa	7RSA	A	119	HIS	6.5								0.1	303 K	1.2-7.9	1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/8615690
721	Ribonuclease A	Bovine	Main	7RSA	A	121	ASP	3.05		1KF3, 1RNZ, 3RN3, 3SRN, 9RAT	This is an average pKa of values measured at two salt concentrations (30 mM and 1 M).					0.1	303 K	1.2-7.9	(calculated average)	NMR
722	Ribonuclease A	Bovine	Alt. pKa	7RSA	A	121	ASP	3.1								0.2	293 K	1.5-11.0	30 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
723	Ribonuclease A	Bovine	Alt. pKa	7RSA	A	121	ASP	3								0.1	303 K	1.2-7.9	1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/8615690
724	Ribonuclease A	Bovine	Main	7RSA	A	124	C-term	2.4							C/N-term	0.2	293 K	1.5-11.0	30 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
725	Ribosomal Protein L9	Geobacillus Stearothermophilus	Main	1DIV	A	8	ASP	2.99								0.05	298 K	1.5-12.5	100 mM	NMR	https://pubmed.ncbi.nlm.nih.gov/10200179/
726	Ribosomal Protein L9	Geobacillus Stearothermophilus	Main	1DIV	A	17	GLU	3.57								0.05	298 K	1.5-12.5	102 mM	NMR	https://pubmed.ncbi.nlm.nih.gov/10200179/
727	Ribosomal Protein L9	Geobacillus Stearothermophilus	Main	1DIV	A	23	ASP	3.05								0.04	298 K	1.5-12.5	101 mM	NMR	https://pubmed.ncbi.nlm.nih.gov/10200179/
728	Ribosomal Protein L9	Geobacillus Stearothermophilus	Main	1DIV	A	38	GLU	4.04								0.05	298 K	1.5-12.5	103 mM	NMR	https://pubmed.ncbi.nlm.nih.gov/10200179/
729	Ribosomal Protein L9	Geobacillus Stearothermophilus	Main	1DIV	A	48	GLU	4.21								0.08	298 K	1.5-12.5	104 mM	NMR	https://pubmed.ncbi.nlm.nih.gov/10200179/
730	Ribosomal Protein L9	Geobacillus Stearothermophilus	Main	1DIV	A	54	GLU	4.21								0.08	298 K	1.5-12.5	105 mM	NMR	https://pubmed.ncbi.nlm.nih.gov/10200179/
731	Sac7d	Sulfolobus Acidocaldarius	Main	1AZP	A	11	GLU	4.19		1CA5, 1SAP	13C NMR, no DNA in pKa experiment; 1AZP (Resolution: 1.60 Å) & 1CA5 (Resolution: 2.20 Å) are X-RAY structures but bound with DNA, 1SAP has no DNA but is SOLUTION NMR structure, so use 1AZP. Users should consider removing DNA from the PDB.	1BNZ.A				0.01	273-373 K	0-8	0.3 M	13C NMR	https://www.sciencedirect.com/science/article/pii/S0022283607008972
732	Sac7d	Sulfolobus Acidocaldarius	Main	1AZP	A	12	GLU	4.41		1CA5, 1SAP	13C NMR, no DNA in pKa experiment; 1AZP (Resolution: 1.60 Å) & 1CA5 (Resolution: 2.20 Å) are X-RAY structures but bound with DNA, 1SAP has no DNA but is SOLUTION NMR structure, so use 1AZP. Users should consider removing DNA from the PDB.	1BNZ.A				0.01	273-373 K	0-8	0.3 M	13C NMR	https://www.sciencedirect.com/science/article/pii/S0022283607008972
733	Sac7d	Sulfolobus Acidocaldarius	Main	1AZP	A	14	GLU	4		1CA5, 1SAP	13C NMR, no DNA in pKa experiment; 1AZP (Resolution: 1.60 Å) & 1CA5 (Resolution: 2.20 Å) are X-RAY structures but bound with DNA, 1SAP has no DNA but is SOLUTION NMR structure, so use 1AZP. Users should consider removing DNA from the PDB.	1BNZ.A				0.01	273-373 K	0-8	0.3 M	13C NMR	https://www.sciencedirect.com/science/article/pii/S0022283607008972
734	Sac7d	Sulfolobus Acidocaldarius	Main	1AZP	A	16	ASP	2.89		1CA5, 1SAP	13C NMR, no DNA in pKa experiment; 1AZP (Resolution: 1.60 Å) & 1CA5 (Resolution: 2.20 Å) are X-RAY structures but bound with DNA, 1SAP has no DNA but is SOLUTION NMR structure, so use 1AZP. Users should consider removing DNA from the PDB.	1BNZ.A				0.01	273-373 K	0-8	0.3 M	13C NMR	https://www.sciencedirect.com/science/article/pii/S0022283607008972
735	Sac7d	Sulfolobus Acidocaldarius	Main	1AZP	A	35	ASP	3.42		1CA5, 1SAP	13C NMR, no DNA in pKa experiment; 1AZP (Resolution: 1.60 Å) & 1CA5 (Resolution: 2.20 Å) are X-RAY structures but bound with DNA, 1SAP has no DNA but is SOLUTION NMR structure, so use 1AZP. Users should consider removing DNA from the PDB.	1BNZ.A				0.01	273-373 K	0-8	0.3 M	13C NMR	https://www.sciencedirect.com/science/article/pii/S0022283607008972
736	Sac7d	Sulfolobus Acidocaldarius	Main	1AZP	A	36	ASP	3.12		1CA5, 1SAP	13C NMR, no DNA in pKa experiment; 1AZP (Resolution: 1.60 Å) & 1CA5 (Resolution: 2.20 Å) are X-RAY structures but bound with DNA, 1SAP has no DNA but is SOLUTION NMR structure, so use 1AZP. Users should consider removing DNA from the PDB.	1BNZ.A				0.01	273-373 K	0-8	0.3 M	13C NMR	https://www.sciencedirect.com/science/article/pii/S0022283607008972
737	Sac7d	Sulfolobus Acidocaldarius	Main	1AZP	A	47	GLU	4.21		1CA5, 1SAP	13C NMR, no DNA in pKa experiment; 1AZP (Resolution: 1.60 Å) & 1CA5 (Resolution: 2.20 Å) are X-RAY structures but bound with DNA, 1SAP has no DNA but is SOLUTION NMR structure, so use 1AZP. Users should consider removing DNA from the PDB.	1BNZ.A				0.01	273-373 K	0-8	0.3 M	13C NMR	https://www.sciencedirect.com/science/article/pii/S0022283607008972
738	Sac7d	Sulfolobus Acidocaldarius	Main	1AZP	A	49	ASP	3.55		1CA5, 1SAP	13C NMR, no DNA in pKa experiment; 1AZP (Resolution: 1.60 Å) & 1CA5 (Resolution: 2.20 Å) are X-RAY structures but bound with DNA, 1SAP has no DNA but is SOLUTION NMR structure, so use 1AZP. Users should consider removing DNA from the PDB.	1BNZ.A				0.01	273-373 K	0-8	0.3 M	13C NMR	https://www.sciencedirect.com/science/article/pii/S0022283607008972
739	Sac7d	Sulfolobus Acidocaldarius	Main	1AZP	A	53	GLU	3.53		1CA5, 1SAP	13C NMR, no DNA in pKa experiment; 1AZP (Resolution: 1.60 Å) & 1CA5 (Resolution: 2.20 Å) are X-RAY structures but bound with DNA, 1SAP has no DNA but is SOLUTION NMR structure, so use 1AZP. Users should consider removing DNA from the PDB.	1BNZ.A				0.01	273-373 K	0-8	0.3 M	13C NMR	https://www.sciencedirect.com/science/article/pii/S0022283607008972
740	Sac7d	Sulfolobus Acidocaldarius	Main	1AZP	A	56	ASP	3.35		1CA5, 1SAP	13C NMR, no DNA in pKa experiment; 1AZP (Resolution: 1.60 Å) & 1CA5 (Resolution: 2.20 Å) are X-RAY structures but bound with DNA, 1SAP has no DNA but is SOLUTION NMR structure, so use 1AZP. Users should consider removing DNA from the PDB.	1BNZ.A				0.01	273-373 K	0-8	0.3 M	13C NMR	https://www.sciencedirect.com/science/article/pii/S0022283607008972
741	Sac7d	Sulfolobus Acidocaldarius	Main	1AZP	A	62	GLU	3.99		1CA5, 1SAP	13C NMR, no DNA in pKa experiment; 1AZP (Resolution: 1.60 Å) & 1CA5 (Resolution: 2.20 Å) are X-RAY structures but bound with DNA, 1SAP has no DNA but is SOLUTION NMR structure, so use 1AZP. Users should consider removing DNA from the PDB.	1BNZ.A				0.01	273-373 K	0-8	0.3 M	13C NMR	https://www.sciencedirect.com/science/article/pii/S0022283607008972
742	Sac7d	Sulfolobus Acidocaldarius	Main	1AZP	A	64	GLU	4.23		1CA5, 1SAP	13C NMR, no DNA in pKa experiment; 1AZP (Resolution: 1.60 Å) & 1CA5 (Resolution: 2.20 Å) are X-RAY structures but bound with DNA, 1SAP has no DNA but is SOLUTION NMR structure, so use 1AZP. Users should consider removing DNA from the PDB.	1BNZ.A				0.01	273-373 K	0-8	0.3 M	13C NMR	https://www.sciencedirect.com/science/article/pii/S0022283607008972
743	Serine Proteinase Inhibitor	Barley	Main	2CI2	I	23	GLU	3.2		2SNI							315 K	2.0-5.9	200 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283685706705?via%3Dihub
744	Serine Proteinase Inhibitor	Barley	Main	2CI2	I	26	GLU	3.3		2SNI							315 K	2.0-5.9	200 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283685706705?via%3Dihub
745	Serine Proteinase Inhibitor	Barley	Main	2CI2	I	33	GLU	4.2		2SNI							315 K	2.0-5.9	200 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283685706705?via%3Dihub
746	Serine Proteinase Inhibitor	Barley	Main	2CI2	I	34	GLU	3.8		2SNI							315 K	2.0-5.9	200 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283685706705?via%3Dihub
747	Serine Proteinase Inhibitor	Barley	Main	2CI2	I	42	ASP	3.3		2SNI							315 K	2.0-5.9	200 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283685706705?via%3Dihub
748	Serine Proteinase Inhibitor	Barley	Main	2CI2	I	45	GLU	3.9		2SNI							315 K	2.0-5.9	200 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283685706705?via%3Dihub
749	Serine Proteinase Inhibitor	Barley	Main	2CI2	I	60	GLU	3.5		2SNI							315 K	2.0-5.9	200 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283685706705?via%3Dihub
750	Serine Proteinase Inhibitor	Barley	Main	2CI2	I	64	ASP	3.8		2SNI							315 K	2.0-5.9	200 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283685706705?via%3Dihub
751	Serine Proteinase Inhibitor	Barley	Main	2CI2	I	71	ASP	2.8		2SNI							315 K	2.0-5.9	200 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283685706705?via%3Dihub
752	Serine Proteinase Inhibitor	Barley	Main	2CI2	I	74	ASP	5		2SNI							315 K	2.0-5.9	200 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283685706705?via%3Dihub
753	Serum Albumin	Human	Main	1AO6	A	34	CYS	6.9												Fluorescence Spectroscopy	https://www.sciencedirect.com/science/article/pii/S0301462221000739?casa_token=hx5qv3O-wwEAAAAA:nsya3bqVtQ-WnxYVbMgWOV4vrB4bKfcOfMxzUIDezrkY-mZLcFTfAEdqIGWAf-7-cQWYdSGvuw
754	SNase	Staphylococcus Aureus	Main	1STN	A	8	HIS	6.52		1EY0, 1STG		1EY7.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2QDB.A,2RDF.A,2RKS.A,3D6C.A,3DMU.A			0.03	298 K	4.0-9.0	0.1 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/11969427
755	SNase	Staphylococcus Aureus	Alt. pKa	1STN	A	8	HIS	6.82			alternative pKa in a different salt concentration 0.3 M	1EY7.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2QDB.A,2RDF.A,2RKS.A,3D6C.A,3DMU.A			0.1	298 K	4.8-10.0	0.3 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi00406a051
756	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	1EY7	A	8	HIS	6.53	S128A			1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1STN.A,2OXP.A,2QDB.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3D6C.A,3DMU.A			0.02	298 K	3.0-8.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/18499123
757	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	2QDB	A	8	HIS	6.18	E75Q			1EY7.A,1STN.A,2OEO.A,2OXP.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2RDF.A,2RKS.A,3D6C.A,3DMU.A			0.03	298 K	3.0-8.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/18499123
758	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	2RDF	A	8	HIS	6.3	E75A			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RKS.A,3D6C.A,3DMU.A			0.01	298 K	3.0-8.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/18499123
759	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	3D6C	A	8	HIS	6.5	L38E		3D6C: L38E	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
760	SNase	Staphylococcus Aureus	Main	3BDC	A	10	GLU	2.82				1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2RBM.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.09	298 K	2.5-7.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19533744
761	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	2RKS	A	10	GLU	3.1	L38K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
762	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	3D6C	A	10	GLU	3.1	L38E		3D6C: L38E	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
763	SNase	Staphylococcus Aureus	Main	3BDC	A	19	ASP	2.21			keep only the major transition according to the paper	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2RBM.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.06-0.07	298 K	2.5-7.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19533744
764	SNase	Staphylococcus Aureus	Main	5E1F	A	20	GLU	4.5	G20E		5E1F : Delta+PHS G20E	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.2	293 K	5.0-12.0	100 mM	NMR	https://doi.org/10.1073/pnas.1004213107
765	SNase	Staphylococcus Aureus	Main	3BDC	A	21	ASP	6.54			keep only the major transition according to the paper	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2RBM.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.01-0.02	298 K	2.5-7.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19533744
766	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	2RKS	A	21	ASP	6.5	L38K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
767	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	3D6C	A	21	ASP	6.6	L38E		3D6C: L38E	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
768	SNase	Staphylococcus Aureus	Main	4KY5	A	23	ASP	6.8	V23D			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A								https://github.com/sobolevnrm/pkacoop
769	SNase	Staphylococcus Aureus	Main	3QOL	A	23	GLU	7.1	V23E			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.2	293 K	5.0-12.0	100 mM	NMR	https://doi.org/10.1073/pnas.1004213107
770	SNase	Staphylococcus Aureus	Main	3QOJ	A	23	LYS	7.3	V23K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.2	298 K	4.0-10.0		NMR	https://www.pnas.org/content/108/13/5260
771	SNase	Staphylococcus Aureus	Main	4KY6	A	25	ASP	6.8	L25D		4KY6 DELTA+PHS L25D AT PH 6	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A								https://github.com/sobolevnrm/pkacoop
772	SNase	Staphylococcus Aureus	Main	3EVQ	A	25	GLU	7.5	L25E			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.2	293 K	5.0-12.0	100 mM	NMR	https://doi.org/10.1073/pnas.1004213107
773	SNase	Staphylococcus Aureus	Main	3ERQ	A	25	LYS	6.3	L25K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.2	298 K	4.0-10.0		NMR	https://www.pnas.org/content/108/13/5260
774	SNase	Staphylococcus Aureus	Main	3ITP	A	34	LYS	7.1	F34K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.2	298 K	4.0-10.0		NMR	https://www.pnas.org/content/108/13/5260
775	SNase	Staphylococcus Aureus	Main	4HMJ	A	36	ASP	7.9	L36D		4HMJ DELTA+PHS L36D	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A								https://github.com/sobolevnrm/pkacoop
776	SNase	Staphylococcus Aureus	Main	3TP8	A	36	GLU	8.7	L36E			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.2	293 K	5.0-12.0	100 mM	NMR	https://doi.org/10.1073/pnas.1004213107
777	SNase	Staphylococcus Aureus	Main	3EJI	A	36	LYS	7.2	L36K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.2	298 K	4.0-10.0		NMR	https://www.pnas.org/content/108/13/5260
778	SNase	Staphylococcus Aureus	Main	5ISR	A	38	GLU	7	L38E		Harms2009, NMR, use this one	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
779	SNase	Staphylococcus Aureus	Alt. pKa	5ISR	A	38	GLU	6.8	L38E		Isom2010, pH-dependence thermodynamic stability analysis	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.2	293 K	5.0-12.0	100 mM	pH-dependence thermodynamic stability analysis	https://doi.org/10.1073/pnas.1004213107
780	SNase	Staphylococcus Aureus	Main	2RKS	A	38	LYS	10.4	L38K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.2	298 K	4.0-10.0		NMR	https://www.pnas.org/content/108/13/5260
781	SNase	Staphylococcus Aureus	Main	3SK5	A	39	ASP	8.1	V39D			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A								Cannon, B. R. Thermodynamic Consequences of Substitutions of Internal Positions in Proteins with Polar and Ionizable Residues; Johns Hopkins University, 2008.
782	SNase	Staphylococcus Aureus	Main	3BDC	A	40	ASP	3.87				1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2RBM.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.09	298 K	2.5-7.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19533744
783	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	2RKS	A	40	ASP	3.8	L38K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
784	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	3D6C	A	40	ASP	3.9	L38E		3D6C: L38E	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
785	SNase	Staphylococcus Aureus	Main	3BDC	A	43	GLU	4.32				1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2RBM.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.04	298 K	2.5-7.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19533744
786	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	2RKS	A	43	GLU	4.5	L38K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
787	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	3D6C	A	43	GLU	4.4	L38E		3D6C: L38E	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
788	SNase	Staphylococcus Aureus	Main	1STN	A	46	HIS	5.86		1EY0, 1STG		1EY7.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2QDB.A,2RDF.A,2RKS.A,3D6C.A,3DMU.A			0.04	298 K	4.0-9.0	0.1 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/11969427
789	SNase	Staphylococcus Aureus	Alt. pKa	1STN	A	46	HIS	5.8			alternative pKa in a different salt concentration 0.3 M	1EY7.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2QDB.A,2RDF.A,2RKS.A,3D6C.A,3DMU.A			0.1	298 K	4.8-10.0	0.3 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi00406a051
790	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	1EY7	A	46	HIS	6.49	S128A			1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1STN.A,2OXP.A,2QDB.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3D6C.A,3DMU.A			0.02	298 K	3.0-8.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/18499123
791	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	2QDB	A	46	HIS	6.49	E75Q			1EY7.A,1STN.A,2OEO.A,2OXP.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2RDF.A,2RKS.A,3D6C.A,3DMU.A		ResID NOT exist	0.01	298 K	3.0-8.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/18499123
792	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	2RDF	A	46	HIS	6.42	E75A			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RKS.A,3D6C.A,3DMU.A		ResID NOT exist	0.01	298 K	3.0-8.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/18499123
793	SNase	Staphylococcus Aureus	Main	3BDC	A	52	GLU	3.93				1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2RBM.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.08	298 K	2.5-7.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19533744
794	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	2RKS	A	52	GLU	4.1	L38K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
795	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	3D6C	A	52	GLU	4	L38E		3D6C: L38E	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
796	SNase	Staphylococcus Aureus	Main	3BDC	A	57	GLU	3.49				1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2RBM.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.09	298 K	2.5-7.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19533744
797	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	2RKS	A	57	GLU	3.6	L38K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
798	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	3D6C	A	57	GLU	3.6	L38E		3D6C: L38E	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
799	SNase	Staphylococcus Aureus	Main	5I6W	A	58	ASP	6.8	A58D			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A								Cannon, B. R. Thermodynamic Consequences of Substitutions of Internal Positions in Proteins with Polar and Ionizable Residues; Johns Hopkins University, 2008.
800	SNase	Staphylococcus Aureus	Main	5IIF	A	62	ASP	8.8	T62D			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A								Cannon, B. R. Thermodynamic Consequences of Substitutions of Internal Positions in Proteins with Polar and Ionizable Residues; Johns Hopkins University, 2008.
801	SNase	Staphylococcus Aureus	Main	6EEG	A	62	GLU	7.7	T62E			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A			0.2	293 K	5.0-12.0	100 mM	NMR	https://doi.org/10.1073/pnas.1004213107
802	SNase	Staphylococcus Aureus	Main	3DMU	A	62	LYS	8.1	T62K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.2	298 K	4.0-10.0		NMR	https://www.pnas.org/content/108/13/5260
803	SNase	Staphylococcus Aureus	Main	2OXP	A	66	ASP	8.7	V66D			1EY7.A,1STN.A,2OEO.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.03	298 K	6.55-11.35	100 mM	Potentiometric titration	https://www.ncbi.nlm.nih.gov/pubmed/17172297
804	SNase	Staphylococcus Aureus	Main	5EGT	A	66	GLU	8.5	V66E			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.2	293 K	5.0-12.0	100 mM	NMR	https://doi.org/10.1073/pnas.1004213107
805	SNase	Staphylococcus Aureus	Main	3HZX	A	66	LYS	5.6	V66K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.2	298 K	4.0-10.0		NMR	https://www.pnas.org/content/108/13/5260
806	SNase	Staphylococcus Aureus	Main	3BDC	A	67	GLU	3.76				1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2RBM.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.07	298 K	2.5-7.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19533744
807	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	2RKS	A	67	GLU	3.9	L38K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
808	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	3D6C	A	67	GLU	3.8	L38E		3D6C: L38E	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
809	SNase	Staphylococcus Aureus	Main	4EQP	A	72	ASP	7.7	I72D			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A								Cannon, B. R. Thermodynamic Consequences of Substitutions of Internal Positions in Proteins with Polar and Ionizable Residues; Johns Hopkins University, 2008.
810	SNase	Staphylococcus Aureus	Main	3ERO	A	72	GLU	7.3	I72E			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.2	293 K	5.0-12.0	100 mM	NMR	https://doi.org/10.1073/pnas.1004213107
811	SNase	Staphylococcus Aureus	Main	2RBM	A	72	LYS	8.6	I72K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.2	298 K	4.0-10.0		NMR	https://www.pnas.org/content/108/13/5260
812	SNase	Staphylococcus Aureus	Main	3BDC	A	73	GLU	3.31				1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2RBM.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.01	298 K	2.5-7.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19533744
813	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	2RKS	A	73	GLU	3.3	L38K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
814	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	3D6C	A	73	GLU	3.4	L38E		3D6C: L38E	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
815	SNase	Staphylococcus Aureus	Main	4KY7	A	74	ASP	8.3	V74D			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A								Cannon, B. R. Thermodynamic Consequences of Substitutions of Internal Positions in Proteins with Polar and Ionizable Residues; Johns Hopkins University, 2008.
816	SNase	Staphylococcus Aureus	Main	3RUZ	A	74	LYS	7.4	V74K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.2	298 K	4.0-10.0		NMR	https://www.pnas.org/content/108/13/5260
817	SNase	Staphylococcus Aureus	Main	3BDC	A	75	GLU	3.26				1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2RBM.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.05	298 K	2.5-7.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19533744
818	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	3D6C	A	75	GLU	3.3	L38E		3D6C: L38E	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
819	SNase	Staphylococcus Aureus	Main	3BDC	A	77	ASP	<2.2				1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2RBM.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A		pKa: range or ~		298 K	2.5-7.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19533744
820	SNase	Staphylococcus Aureus	Main	3BDC	A	83	ASP	<2.2				1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2RBM.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A		pKa: range or ~		298 K	2.5-7.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19533744
821	SNase	Staphylococcus Aureus	Main	5J1Z	A	90	ASP	7.5	A90D			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A								Cannon, B. R. Thermodynamic Consequences of Substitutions of Internal Positions in Proteins with Polar and Ionizable Residues; Johns Hopkins University, 2008.
822	SNase	Staphylococcus Aureus	Main	5I6Y	A	90	GLU	6.4	A90E		5I6Y : Delta+PHS A90E	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.2	293 K	5.0-12.0	100 mM	NMR	https://doi.org/10.1073/pnas.1004213107
823	SNase	Staphylococcus Aureus	Main	5JAV	A	91	ASP	6.6	Y91D			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5KGU.A,5KIX.A,6EEG.A								Cannon, B. R. Thermodynamic Consequences of Substitutions of Internal Positions in Proteins with Polar and Ionizable Residues; Johns Hopkins University, 2008.
824	SNase	Staphylococcus Aureus	Main	3D4D	A	91	GLU	7.1	Y91E			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.2	293 K	5.0-12.0	100 mM	NMR	https://doi.org/10.1073/pnas.1004213107
825	SNase	Staphylococcus Aureus	Main	2OEO	A	92	ASP	7.5	I92D			1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A									https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213318/
826	SNase	Staphylococcus Aureus	Main	5KIX	A	92	GLU	9	I92E	1TQO,1TR5	1TQO,1TR5,5KIX : DELTA+PHS I92E, 5KIX is the latest	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,6EEG.A			0.2	293 K	5.0-12.0	100 mM	NMR	https://doi.org/10.1073/pnas.1004213107
827	SNase	Staphylococcus Aureus	Main	5E3F	A	92	LYS	5.3	I92K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.2	298 K	4.0-10.0		NMR	https://www.pnas.org/content/108/13/5260
828	SNase	Staphylococcus Aureus	Main	3BDC	A	95	ASP	2.16				1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2RBM.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.07	298 K	2.5-7.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19533744
829	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	2RKS	A	95	ASP	2.1	L38K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
830	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	3D6C	A	95	ASP	2.3	L38E		3D6C: L38E	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
831	SNase	Staphylococcus Aureus	Main	3TP7	A	99	GLU	8.4	V99E			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.2	293 K	5.0-12.0	100 mM	NMR	https://doi.org/10.1073/pnas.1004213107
832	SNase	Staphylococcus Aureus	Main	4HMI	A	99	LYS	6.5	V99K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.2	298 K	4.0-10.0		NMR	https://www.pnas.org/content/108/13/5260
833	SNase	Staphylococcus Aureus	Main	5DEH	A	100	ASP	6.8	N100D			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A								Cannon, B. R. Thermodynamic Consequences of Substitutions of Internal Positions in Proteins with Polar and Ionizable Residues; Johns Hopkins University, 2008.
834	SNase	Staphylococcus Aureus	Main	3BDC	A	101	GLU	3.81				1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2RBM.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.5-7.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19533744
835	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	2RKS	A	101	GLU	3.9	L38K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
836	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	3D6C	A	101	GLU	3.9	L38E		3D6C: L38E	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
837	SNase	Staphylococcus Aureus	Main	3E5S	A	103	LYS	8.2	L103K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.2	298 K	4.0-10.0		NMR	https://www.pnas.org/content/108/13/5260
838	SNase	Staphylococcus Aureus	Main	3P75	A	104	ASP	9.7	V104D			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A									https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213318/
839	SNase	Staphylococcus Aureus	Main	3H6M	A	104	GLU	9.4	V104E			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.2	293 K	5.0-12.0	100 mM	NMR	https://doi.org/10.1073/pnas.1004213107
840	SNase	Staphylococcus Aureus	Main	3C1F	A	104	LYS	7.7	V104K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.2	298 K	4.0-10.0		NMR	https://www.pnas.org/content/108/13/5260
841	SNase	Staphylococcus Aureus	Main	4YIJ	A	109	GLU	7.9	A109E		4YIJ : Delta+PHS A109E	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.2	293 K	5.0-12.0	100 mM	NMR	https://doi.org/10.1073/pnas.1004213107
842	SNase	Staphylococcus Aureus	Main	5KGU	A	118	ASP	7	N118D			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KIX.A,6EEG.A	2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KIX.A,6EEG.A								Cannon, B. R. Thermodynamic Consequences of Substitutions of Internal Positions in Proteins with Polar and Ionizable Residues; Johns Hopkins University, 2008.
843	SNase	Staphylococcus Aureus	Main	1STN	A	121	HIS	5.3		1EY0, 1STG		1EY7.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2QDB.A,2RDF.A,2RKS.A,3D6C.A,3DMU.A			0.06	298 K	4.0-9.0	0.1 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/11969427
844	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	1EY7	A	121	HIS	5.25	S128A			1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1STN.A,2OXP.A,2QDB.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3D6C.A,3DMU.A			0.03	298 K	3.0-8.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/18499123
845	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	2QDB	A	121	HIS	4.03	E75Q			1EY7.A,1STN.A,2OEO.A,2OXP.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2RDF.A,2RKS.A,3D6C.A,3DMU.A			0.2	298 K	3.0-8.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/18499123
846	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	2RDF	A	121	HIS	4.24	E75A			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RKS.A,3D6C.A,3DMU.A			0.02	298 K	3.0-8.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/18499123
847	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	3D6C	A	121	HIS	5.7	L38E		3D6C: L38E	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
848	SNase	Staphylococcus Aureus	Main	3BDC	A	122	GLU	3.89				1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2RBM.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.09	298 K	2.5-7.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19533744
849	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	2RKS	A	122	GLU	3.9	L38K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
850	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	3D6C	A	122	GLU	3.9	L38E		3D6C: L38E	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
851	SNase	Staphylococcus Aureus	Main	1STN	A	124	HIS	5.73		1EY0, 1STG		1EY7.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2QDB.A,2RDF.A,2RKS.A,3D6C.A,3DMU.A			0.02	298 K	4.0-9.0	0.1 M	1H NMR	https://www.ncbi.nlm.nih.gov/pubmed/11969427
852	SNase	Staphylococcus Aureus	Alt. pKa	1STN	A	124	HIS	5.99			alternative pKa in a different salt concentration 0.3 M	1EY7.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2QDB.A,2RDF.A,2RKS.A,3D6C.A,3DMU.A			0.1	298 K	4.8-10.0	0.3 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi00406a051
853	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	1EY7	A	124	HIS	5.71	S128A			1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1STN.A,2OXP.A,2QDB.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3D6C.A,3DMU.A			0.03	298 K	3.0-8.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/18499123
854	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	2QDB	A	124	HIS	5.71	E75Q			1EY7.A,1STN.A,2OEO.A,2OXP.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2RDF.A,2RKS.A,3D6C.A,3DMU.A			0.03	298 K	3.0-8.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/18499123
855	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	2RDF	A	124	HIS	5.64	E75A			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RKS.A,3D6C.A,3DMU.A			0.03	298 K	3.0-8.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/18499123
856	SNase	Staphylococcus Aureus	Main	3C1E	A	125	LYS	6.2	L125K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2RBM.A,2RKS.A,3BDC.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.2	298 K	4.0-10.0		NMR	https://www.pnas.org/content/108/13/5260
857	SNase	Staphylococcus Aureus	Main	3BDC	A	129	GLU	3.75				1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2RBM.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.09	298 K	2.5-7.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19533744
858	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	2RKS	A	129	GLU	3.8	L38K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
859	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	3D6C	A	129	GLU	3.8	L38E		3D6C: L38E	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
860	SNase	Staphylococcus Aureus	Main	3BDC	A	135	GLU	3.76				1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2RBM.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.08	298 K	2.5-7.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19533744
861	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	2RKS	A	135	GLU	3.9	L38K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
862	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	3D6C	A	135	GLU	3.8	L38E		3D6C: L38E	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A			0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
863	SNase	Staphylococcus Aureus	Main	3BDC	A	142	GLU	4.49				1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2RBM.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A		ResID NOT exist	0.04	298 K	2.5-7.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19533744
864	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	2RKS	A	142	GLU	4.6	L38K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A		ResID NOT exist	0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
865	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	3D6C	A	142	GLU	4.5	L38E		3D6C: L38E	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A		ResID NOT exist	0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
866	SNase	Staphylococcus Aureus	Main	3BDC	A	143	ASP	3.8				1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2RBM.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A		ResID NOT exist	0.1	298 K	2.5-7.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19533744
867	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	2RKS	A	143	ASP	4	L38K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A		ResID NOT exist	0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
868	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	3D6C	A	143	ASP	3.8	L38E		3D6C: L38E	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A		ResID NOT exist	0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
869	SNase	Staphylococcus Aureus	Main	3BDC	A	146	ASP	3.86				1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,2OXP.A,2RBM.A,2RKS.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A		ResID NOT exist	0.05	298 K	2.5-7.5	0.1 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19533744
870	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	2RKS	A	146	ASP	4	L38K			1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3D6C.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A		ResID NOT exist	0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
871	SNase	Staphylococcus Aureus	Alt. pKa (mutant)	3D6C	A	146	ASP	3.9	L38E		3D6C: L38E	1EY7.A,1STN.A,2OEO.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3P75.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A	1EY7.A,1STN.A,2OXP.A,2QDB.A,2RBM.A,2RDF.A,2RKS.A,3BDC.A,3C1E.A,3C1F.A,3D4D.A,3DMU.A,3E5S.A,3EJI.A,3ERO.A,3ERQ.A,3EVQ.A,3H6M.A,3HZX.A,3ITP.A,3QOJ.A,3QOL.A,3RUZ.A,3SK5.A,3TP7.A,3TP8.A,4EQP.A,4HMI.A,4HMJ.A,4KY5.A,4KY6.A,4KY7.A,4YIJ.A,5DEH.A,5E1F.A,5E3F.A,5EGT.A,5I6W.A,5I6Y.A,5IIF.A,5ISR.A,5J1Z.A,5JAV.A,5KGU.A,5KIX.A,6EEG.A		ResID NOT exist	0.1	298 K	2.0-9.0	100 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/19324049
872	Sso7d	Sulfolobus Solfataricus	Main	1BNZ	A	1	N-term	7		1BF4, 1C8C	1H NMR. No DNA in pKa experiments. 1BNZ is wildtype, alternative PDBs: 1C8C (E14Q/E60A), 1BF4 (mutations x10); they are all X-RAY structures bound to DNA. Users should consider removing DNA from the PDB.	1AZP.A			C/N-term		300 K	1.5-12.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/12578354
873	Sso7d	Sulfolobus Solfataricus	Main	1BNZ	A	7	LYS	>11.5		1BF4, 1C8C	1H NMR. No DNA in pKa experiments. 1BNZ is wildtype, alternative PDBs: 1C8C (E14Q/E60A), 1BF4 (mutations x10); they are all X-RAY structures bound to DNA. Users should consider removing DNA from the PDB.	1AZP.A			pKa: range or ~		300 K	1.5-12.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/12578354
874	Sso7d	Sulfolobus Solfataricus	Main	1BNZ	A	8	TYR	>9.3		1BF4, 1C8C	1H NMR. No DNA in pKa experiments. 1BNZ is wildtype, alternative PDBs: 1C8C (E14Q/E60A), 1BF4 (mutations x10); they are all X-RAY structures bound to DNA. Users should consider removing DNA from the PDB.	1AZP.A			pKa: range or ~		300 K	1.5-12.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/12578354
875	Sso7d	Sulfolobus Acidocaldarius	Main	1BNZ	A	11	GLU	4.17		1BF4, 1C8C	13C NMR. No DNA in pKa experiments. 1BNZ is wildtype, alternative PDBs: 1C8C (E14Q/E60A), 1BF4 (mutations x10); they are all X-RAY structures bound to DNA. Users should consider removing DNA from the PDB.	1AZP.A				0.01	273-373 K	0-8	0.3 M	13C NMR	https://www.sciencedirect.com/science/article/pii/S0022283607008972
876	Sso7d	Sulfolobus Solfataricus	Alt. pKa	1BNZ	A	11	GLU	3.5			1H NMR. No DNA in pKa experiments. 1BNZ is wildtype, alternative PDBs: 1C8C (E14Q/E60A), 1BF4 (mutations x10); they are all X-RAY structures bound to DNA. Users should consider removing DNA from the PDB.	1AZP.A					300 K	1.5-12.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/12578354
877	Sso7d	Sulfolobus Acidocaldarius	Main	1BNZ	A	12	GLU	4.33		1BF4, 1C8C	13C NMR. No DNA in pKa experiments. 1BNZ is wildtype, alternative PDBs: 1C8C (E14Q/E60A), 1BF4 (mutations x10); they are all X-RAY structures bound to DNA. Users should consider removing DNA from the PDB.	1AZP.A				0.01	273-373 K	0-8	0.3 M	13C NMR	https://www.sciencedirect.com/science/article/pii/S0022283607008972
878	Sso7d	Sulfolobus Solfataricus	Alt. pKa	1BNZ	A	12	GLU	3.5			1H NMR. No DNA in pKa experiments. 1BNZ is wildtype, alternative PDBs: 1C8C (E14Q/E60A), 1BF4 (mutations x10); they are all X-RAY structures bound to DNA. Users should consider removing DNA from the PDB.	1AZP.A					300 K	1.5-12.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/12578354
879	Sso7d	Sulfolobus Solfataricus	Main	1BNZ	A	13	LYS	>10		1BF4, 1C8C	1H NMR. No DNA in pKa experiments. 1BNZ is wildtype, alternative PDBs: 1C8C (E14Q/E60A), 1BF4 (mutations x10); they are all X-RAY structures bound to DNA. Users should consider removing DNA from the PDB.	1AZP.A			pKa: range or ~		300 K	1.5-12.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/12578354
880	Sso7d	Sulfolobus Acidocaldarius	Main	1BNZ	A	16	ASP	2.62		1BF4, 1C8C	13C NMR. No DNA in pKa experiments. 1BNZ is wildtype, alternative PDBs: 1C8C (E14Q/E60A), 1BF4 (mutations x10); they are all X-RAY structures bound to DNA. Users should consider removing DNA from the PDB.	1AZP.A				0.01	273-373 K	0-8	0.3 M	13C NMR	https://www.sciencedirect.com/science/article/pii/S0022283607008972
881	Sso7d	Sulfolobus Solfataricus	Alt. pKa	1BNZ	A	16	ASP	2.9			1H NMR. No DNA in pKa experiments. 1BNZ is wildtype, alternative PDBs: 1C8C (E14Q/E60A), 1BF4 (mutations x10); they are all X-RAY structures bound to DNA. Users should consider removing DNA from the PDB.	1AZP.A					300 K	1.5-12.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/12578354
882	Sso7d	Sulfolobus Solfataricus	Main	1BNZ	A	19	LYS	>10		1BF4, 1C8C	1H NMR. No DNA in pKa experiments. 1BNZ is wildtype, alternative PDBs: 1C8C (E14Q/E60A), 1BF4 (mutations x10); they are all X-RAY structures bound to DNA. Users should consider removing DNA from the PDB.	1AZP.A			pKa: range or ~		300 K	1.5-12.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/12578354
883	Sso7d	Sulfolobus Solfataricus	Main	1BNZ	A	34	TYR	>10.0		1BF4, 1C8C	1H NMR. No DNA in pKa experiments. 1BNZ is wildtype, alternative PDBs: 1C8C (E14Q/E60A), 1BF4 (mutations x10); they are all X-RAY structures bound to DNA. Users should consider removing DNA from the PDB.	1AZP.A			pKa: range or ~		300 K	1.5-12.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/12578354
884	Sso7d	Sulfolobus Acidocaldarius	Main	1BNZ	A	35	ASP	2.67		1BF4, 1C8C	13C NMR. No DNA in pKa experiments. 1BNZ is wildtype, alternative PDBs: 1C8C (E14Q/E60A), 1BF4 (mutations x10); they are all X-RAY structures bound to DNA. Users should consider removing DNA from the PDB.	1AZP.A				0.01	273-373 K	0-8	0.3 M	13C NMR	https://www.sciencedirect.com/science/article/pii/S0022283607008972
885	Sso7d	Sulfolobus Solfataricus	Alt. pKa	1BNZ	A	35	ASP	2.6			1H NMR. No DNA in pKa experiments. 1BNZ is wildtype, alternative PDBs: 1C8C (E14Q/E60A), 1BF4 (mutations x10); they are all X-RAY structures bound to DNA. Users should consider removing DNA from the PDB.	1AZP.A					300 K	1.5-12.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/12578354
886	Sso7d	Sulfolobus Acidocaldarius	Main	1BNZ	A	36	GLU	4.89		1BF4, 1C8C	13C NMR. No DNA in pKa experiments. 1BNZ is wildtype, alternative PDBs: 1C8C (E14Q/E60A), 1BF4 (mutations x10); they are all X-RAY structures bound to DNA. Users should consider removing DNA from the PDB.	1AZP.A				0.01	273-373 K	0-8	0.3 M	13C NMR	https://www.sciencedirect.com/science/article/pii/S0022283607008972
887	Sso7d	Sulfolobus Solfataricus	Alt. pKa	1BNZ	A	36	GLU	5.4			1H NMR. No DNA in pKa experiments. 1BNZ is wildtype, alternative PDBs: 1C8C (E14Q/E60A), 1BF4 (mutations x10); they are all X-RAY structures bound to DNA. Users should consider removing DNA from the PDB.	1AZP.A					300 K	1.5-12.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/12578354
888	Sso7d	Sulfolobus Acidocaldarius	Main	1BNZ	A	48	GLU	4.03		1BF4, 1C8C	13C NMR. No DNA in pKa experiments. 1BNZ is wildtype, alternative PDBs: 1C8C (E14Q/E60A), 1BF4 (mutations x10); they are all X-RAY structures bound to DNA. Users should consider removing DNA from the PDB.	1AZP.A				0.01	273-373 K	0-8	0.3 M	13C NMR	https://www.sciencedirect.com/science/article/pii/S0022283607008972
889	Sso7d	Sulfolobus Solfataricus	Alt. pKa	1BNZ	A	48	GLU	3.5			1H NMR. No DNA in pKa experiments. 1BNZ is wildtype, alternative PDBs: 1C8C (E14Q/E60A), 1BF4 (mutations x10); they are all X-RAY structures bound to DNA. Users should consider removing DNA from the PDB.	1AZP.A					300 K	1.5-12.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/12578354
890	Sso7d	Sulfolobus Acidocaldarius	Main	1BNZ	A	50	ASP	3.55		1BF4, 1C8C	13C NMR. No DNA in pKa experiments. 1BNZ is wildtype, alternative PDBs: 1C8C (E14Q/E60A), 1BF4 (mutations x10); they are all X-RAY structures bound to DNA. Users should consider removing DNA from the PDB.	1AZP.A				0.01	273-373 K	0-8	0.3 M	13C NMR	https://www.sciencedirect.com/science/article/pii/S0022283607008972
891	Sso7d	Sulfolobus Solfataricus	Alt. pKa	1BNZ	A	50	ASP	3			1H NMR. No DNA in pKa experiments. 1BNZ is wildtype, alternative PDBs: 1C8C (E14Q/E60A), 1BF4 (mutations x10); they are all X-RAY structures bound to DNA. Users should consider removing DNA from the PDB.	1AZP.A					300 K	1.5-12.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/12578354
892	Sso7d	Sulfolobus Acidocaldarius	Main	1BNZ	A	54	GLU	3.56		1BF4, 1C8C	13C NMR. No DNA in pKa experiments. 1BNZ is wildtype, alternative PDBs: 1C8C (E14Q/E60A), 1BF4 (mutations x10); they are all X-RAY structures bound to DNA. Users should consider removing DNA from the PDB.	1AZP.A				0.01	273-373 K	0-8	0.3 M	13C NMR	https://www.sciencedirect.com/science/article/pii/S0022283607008972
893	Sso7d	Sulfolobus Solfataricus	Alt. pKa	1BNZ	A	54	GLU	3.2			1H NMR. No DNA in pKa experiments. 1BNZ is wildtype, alternative PDBs: 1C8C (E14Q/E60A), 1BF4 (mutations x10); they are all X-RAY structures bound to DNA. Users should consider removing DNA from the PDB.	1AZP.A					300 K	1.5-12.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/12578354
894	Sso7d	Sulfolobus Acidocaldarius	Main	1BNZ	A	60	GLU	4.24		1BF4, 1C8C	13C NMR. No DNA in pKa experiments. 1BNZ is wildtype, alternative PDBs: 1C8C (E14Q/E60A), 1BF4 (mutations x10); they are all X-RAY structures bound to DNA. Users should consider removing DNA from the PDB.	1AZP.A				0.01	273-373 K	0-8	0.3 M	13C NMR	https://www.sciencedirect.com/science/article/pii/S0022283607008972
895	Sso7d	Sulfolobus Solfataricus	Alt. pKa	1BNZ	A	60	GLU	4.1			1H NMR. No DNA in pKa experiments. 1BNZ is wildtype, alternative PDBs: 1C8C (E14Q/E60A), 1BF4 (mutations x10); they are all X-RAY structures bound to DNA. Users should consider removing DNA from the PDB.	1AZP.A					300 K	1.5-12.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/12578354
896	Sso7d	Sulfolobus Solfataricus	Main	1BNZ	A	64	C-term	3.4		1BF4, 1C8C	1H NMR. No DNA in pKa experiments. 1BNZ is wildtype, alternative PDBs: 1C8C (E14Q/E60A), 1BF4 (mutations x10); they are all X-RAY structures bound to DNA. Users should consider removing DNA from the PDB.	1AZP.A			C/N-term		300 K	1.5-12.0		NMR	https://www.ncbi.nlm.nih.gov/pubmed/12578354
897	Thioredoxin	Escherichia Coli	Main	2TRX	A	1	N-term	7.4				1XOB.A,2FD3.A,2O89.A	1XOB.A,2FD3.A		C/N-term		298-308 K		1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi961801a
898	Thioredoxin	Escherichia Coli	Main	2TRX	A	6	HIS	6.2				1XOB.A,2FD3.A,2O89.A	1XOB.A,2FD3.A				298-308 K		1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi961801a
899	Thioredoxin	Escherichia Coli	Main	2TRX	A	20	ASP	3.8				1XOB.A,2FD3.A,2O89.A	1XOB.A,2FD3.A				298-308 K		1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi961801a
900	Thioredoxin	Escherichia Coli	Main	2TRX	A	26	ASP	7.5				1XOB.A,2FD3.A,2O89.A	1XOB.A,2FD3.A				298-308 K		1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi961801a
901	Thioredoxin	Escherichia Coli	Main	2FD3	A	32	CYS	6.34	P34H			1XOB.A,2O89.A,2TRX.A	1XOB.A,2TRX.A							pH dependence of reaction with iodoacetamide	https://doi.org/10.1089/ars.2012.4521
902	Thioredoxin	Escherichia Coli	Main	2TRX	A	32	CYS	7.1				1XOB.A,2FD3.A,2O89.A	1XOB.A,2FD3.A				298-308 K		1 M	UV spectrophotometry	https://pubs.acs.org/doi/abs/10.1021/bi961801a
903	Thioredoxin	Escherichia Coli	Main	2TRX	A	35	CYS	9.9				1XOB.A,2FD3.A,2O89.A	1XOB.A,2FD3.A				298-308 K		1 M	UV spectrophotometry	https://pubs.acs.org/doi/abs/10.1021/bi961801a
904	Thioredoxin	Human	Main	1ERT	A	1	N-term	7.3		1TRW, 4TRX	Reduced pKa from Forman1992	1ERU.A,2O89.A	1ERU.A		C/N-term	0.2	313 K	2.1-10.6		NMR	https://pubs.acs.org/doi/abs/10.1021/bi00128a019
905	Thioredoxin	Human	Main	1ERT	A	6	GLU	4.8		1TRW, 4TRX	Reduced pKa from Qin1996; 1ERT is X-RAY structure in REDUCED form, 1TRW is NMR structure, so use 1ERT	1ERU.A,2O89.A	1ERU.A			0.08	298 K	1.9-10.0	100 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
906	Thioredoxin	Human	Alt. pKa (state)	1ERU	A	6	GLU	4.9		1TRS	Oxidized pKa from Qin1996; 1ERU is X-RAY structure in OXIDIZED form, 1TRS is SOLUTION NMR structure, so use 1ERU	1ERT.A,2O89.A	1ERT.A			0.04	298 K	1.9-10		NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
907	Thioredoxin	Human	Main	1ERT	A	13	GLU	4.4		1TRW, 4TRX	Reduced pKa from Qin1996; Forman1992 & Qin1996 are from the same lab (Gronenborn), Forman1992 used 2D 1H and 15N NMR, Qin1996 used triple-resonance NMR ->> when there is pKa in the later paper, use the later pKa value in Qin1996; 1ERT is X-RAY structure in REDUCED form, 1TRW is NMR structure, so use 1ERT	1ERU.A,2O89.A	1ERU.A			0.07	298 K	2.0-7.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
908	Thioredoxin	Human	Alt. pKa	1ERT	A	13	GLU	4.8		1TRW, 4TRX	Reduced pKa from Forman1992; Forman1992 & Qin1996 are from the same lab (Gronenborn), Forman1992 used 2D 1H and 15N NMR, Qin1996 used triple-resonance NMR ->> when there is pKa in the later paper, use the later pKa value in Qin1996; 1ERT is X-RAY structure in REDUCED form, 1TRW is NMR structure, so use 1ERT	1ERU.A,2O89.A	1ERU.A			0.2	313 K	2.1-10.6	75-100 mM	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00128a019
909	Thioredoxin	Human	Alt. pKa (state)	1ERU	A	13	GLU	4.4		1TRS	Oxidized pKa from Qin1996; 1ERU is X-RAY structure in OXIDIZED form, 1TRS is SOLUTION NMR structure, so use 1ERU	1ERT.A,2O89.A	1ERT.A			0.07	298 K	1.9-10		NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
910	Thioredoxin	Human	Main	1ERT	A	16	ASP	4		1TRW, 4TRX	Reduced pKa from Qin1996; Forman1992 & Qin1996 are from the same lab (Gronenborn), Forman1992 used 2D 1H and 15N NMR, Qin1996 used triple-resonance NMR ->> when there is pKa in the later paper, use the later pKa value in Qin1996; 1ERT is X-RAY structure in REDUCED form, 1TRW is NMR structure, so use 1ERT	1ERU.A,2O89.A	1ERU.A			0.06	298 K	2.0-7.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
911	Thioredoxin	Human	Alt. pKa	1ERT	A	16	ASP	3.7		1TRW, 4TRX	Reduced pKa from Forman1992; Forman1992 & Qin1996 are from the same lab (Gronenborn), Forman1992 used 2D 1H and 15N NMR, Qin1996 used triple-resonance NMR ->> when there is pKa in the later paper, use the later pKa value in Qin1996; 1ERT is X-RAY structure in REDUCED form, 1TRW is NMR structure, so use 1ERT	1ERU.A,2O89.A	1ERU.A			0.1	313 K	2.1-10.6	75-100 mM	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00128a019
912	Thioredoxin	Human	Alt. pKa (state)	1ERU	A	16	ASP	4.2		1TRS	Oxidized pKa from Qin1996; 1ERU is X-RAY structure in OXIDIZED form, 1TRS is SOLUTION NMR structure, so use 1ERU	1ERT.A,2O89.A	1ERT.A			0.03	298 K	1.9-10		NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
913	Thioredoxin	Human	Main	1ERT	A	20	ASP	3.8		1TRW, 4TRX	Reduced pKa from Qin1996; Forman1992 & Qin1996 are from the same lab (Gronenborn), Forman1992 used 2D 1H and 15N NMR, Qin1996 used triple-resonance NMR ->> when there is pKa in the later paper, use the later pKa value in Qin1996; 1ERT is X-RAY structure in REDUCED form, 1TRW is NMR structure, so use 1ERT	1ERU.A,2O89.A	1ERU.A			0.05	298 K	2.0-7.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
914	Thioredoxin	Human	Alt. pKa	1ERT	A	20	ASP	3.6		1TRW, 4TRX	Reduced pKa from Forman1992; Forman1992 & Qin1996 are from the same lab (Gronenborn), Forman1992 used 2D 1H and 15N NMR, Qin1996 used triple-resonance NMR ->> when there is pKa in the later paper, use the later pKa value in Qin1996; 1ERT is X-RAY structure in REDUCED form, 1TRW is NMR structure, so use 1ERT	1ERU.A,2O89.A	1ERU.A			0.1	313 K	2.1-10.6	75-100 mM	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00128a019
915	Thioredoxin	Human	Alt. pKa (state)	1ERU	A	20	ASP	3.8		1TRS	Oxidized pKa from Qin1996; 1ERU is X-RAY structure in OXIDIZED form, 1TRS is SOLUTION NMR structure, so use 1ERU	1ERT.A,2O89.A	1ERT.A			0.03	298 K	1.9-10		NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
916	Thioredoxin	Human	Main	1ERT	A	26	ASP	9.9		1TRW, 4TRX	Reduced pKa from Qin1996; 1ERT is X-RAY structure in REDUCED form, 1TRW is NMR structure, so use 1ERT	1ERU.A,2O89.A	1ERU.A			0.1	298 K	1.9-10.0	100 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
917	Thioredoxin	Human	Alt. pKa (state)	1ERU	A	26	ASP	8.1		1TRS	Oxidized pKa from Qin1996; 1ERU is X-RAY structure in OXIDIZED form, 1TRS is SOLUTION NMR structure, so use 1ERU	1ERT.A,2O89.A	1ERT.A			0.02	298 K	1.9-10		NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
918	Thioredoxin	Human	Main	1ERT	A	32	CYS	6.3		1TRW, 4TRX	Reduced pKa from Forman1992	1ERU.A,2O89.A	1ERU.A			0.1	313 K	2.1-10.6	75-100 mM	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00128a019
919	Thioredoxin	Human	Main	1ERT	A	43	HIS	5.5		1TRW, 4TRX	Reduced pKa from Forman1992	1ERU.A,2O89.A	1ERU.A			0.1	313 K	2.1-10.6	75-100 mM	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00128a019
920	Thioredoxin	Human	Main	1ERT	A	47	GLU	4.1		1TRW, 4TRX	Reduced pKa from Qin1996; 1ERT is X-RAY structure in REDUCED form, 1TRW is NMR structure, so use 1ERT	1ERU.A,2O89.A	1ERU.A			0.1	298 K	1.9-10.0	100 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
921	Thioredoxin	Human	Alt. pKa (state)	1ERU	A	47	GLU	4.3		1TRS	Oxidized pKa from Qin1996; 1ERU is X-RAY structure in OXIDIZED form, 1TRS is SOLUTION NMR structure, so use 1ERU	1ERT.A,2O89.A	1ERT.A			0.05	298 K	1.9-10		NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
922	Thioredoxin	Human	Main	1ERT	A	56	GLU	3.1, 5.0		1TRW, 4TRX	Reduced pKa from Qin1996, two pKa model	1ERU.A,2O89.A	1ERU.A			0.04	298 K	2.0-7.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
923	Thioredoxin	Human	Alt. pKa (state)	1ERU	A	56	GLU	3.2, 5.1		1TRS	Oxidized pKa from Qin1996; 1ERU is X-RAY structure in OXIDIZED form, 1TRS is SOLUTION NMR structure, so use 1ERU	1ERT.A,2O89.A	1ERT.A			0.05	298 K	2.0-7.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
924	Thioredoxin	Human	Main	1ERT	A	58	ASP	2.8		1TRW, 4TRX	Reduced pKa from Qin1996; Forman1992 & Qin1996 are from the same lab (Gronenborn), Forman1992 used 2D 1H and 15N NMR, Qin1996 used triple-resonance NMR ->> when there is pKa in the later paper, use the later pKa value in Qin1996; 1ERT is X-RAY structure in REDUCED form, 1TRW is NMR structure, so use 1ERT	1ERU.A,2O89.A	1ERU.A			0.1					https://pubs.acs.org/doi/10.1021/bi952299h
925	Thioredoxin	Human	Alt. pKa	1ERT	A	58	ASP	3.1		1TRW, 4TRX	Reduced pKa from Forman1992	1ERU.A,2O89.A	1ERU.A			0.2	313 K	2.1-10.6	75-100 mM	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00128a019
926	Thioredoxin	Human	Main	1ERT	A	60	ASP	4.2		1TRW, 4TRX	Reduced Recombinant form of the thioredoxin from Qin1996	1ERU.A,2O89.A	1ERU.A			0.2					https://pubs.acs.org/doi/10.1021/bi952299h
927	Thioredoxin	Human	Main	1ERT	A	61	ASP	5.3		1TRW, 4TRX	Reduced Recombinant form of the thioredoxin from Qin1996	1ERU.A,2O89.A	1ERU.A			0.3					https://pubs.acs.org/doi/10.1021/bi952299h
928	Thioredoxin	Human	Main	1ERT	A	64	ASP	3.2		1TRW, 4TRX	Reduced pKa from Qin1996; Forman1992 & Qin1996 are from the same lab (Gronenborn), Forman1992 used 2D 1H and 15N NMR, Qin1996 used triple-resonance NMR ->> when there is pKa in the later paper, use the later pKa value in Qin1996; 1ERT is X-RAY structure in REDUCED form, 1TRW is NMR structure, so use 1ERT	1ERU.A,2O89.A	1ERU.A			0.06	298 K	2.0-7.0		NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
929	Thioredoxin	Human	Alt. pKa	1ERT	A	64	ASP	3.1		1TRW, 4TRX	Reduced pKa from Forman1992; Forman1992 & Qin1996 are from the same lab (Gronenborn), Forman1992 used 2D 1H and 15N NMR, Qin1996 used triple-resonance NMR ->> when there is pKa in the later paper, use the later pKa value in Qin1996; 1ERT is X-RAY structure in REDUCED form, 1TRW is NMR structure, so use 1ERT	1ERU.A,2O89.A	1ERU.A			0.2	313 K	2.1-10.6	75-100 mM	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00128a019
930	Thioredoxin	Human	Alt. pKa (state)	1ERU	A	64	ASP	3.2		1TRS	Oxidized pKa from Qin1996; 1ERU is X-RAY structure in OXIDIZED form, 1TRS is SOLUTION NMR structure, so use 1ERU	1ERT.A,2O89.A	1ERT.A			0.05	298 K	1.9-10		NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
931	Thioredoxin	Human	Main	1ERT	A	68	GLU	4.9		1TRW, 4TRX	Reduced pKa from Qin1996; 1ERT is X-RAY structure in REDUCED form, 1TRW is NMR structure, so use 1ERT	1ERU.A,2O89.A	1ERU.A			0.07	298 K	1.9-10.0	100 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
932	Thioredoxin	Human	Alt. pKa (state)	1ERU	A	68	GLU	5.1		1TRS	Oxidized pKa from Qin1996; 1ERU is X-RAY structure in OXIDIZED form, 1TRS is SOLUTION NMR structure, so use 1ERU	1ERT.A,2O89.A	1ERT.A			0.04	298 K	1.9-10		NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
933	Thioredoxin	Human	Main	1ERT	A	70	GLU	4.6		1TRW, 4TRX	Reduced pKa from Qin1996; 1ERT is X-RAY structure in REDUCED form, 1TRW is NMR structure, so use 1ERT	1ERU.A,2O89.A	1ERU.A			0.08	298 K	1.9-10.0	100 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
934	Thioredoxin	Human	Alt. pKa (state)	1ERU	A	70	GLU	4.8		1TRS	Oxidized pKa from Qin1996; 1ERU is X-RAY structure in OXIDIZED form, 1TRS is SOLUTION NMR structure, so use 1ERU	1ERT.A,2O89.A	1ERT.A			0.05	298 K	1.9-10		NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
935	Thioredoxin	Human	Main	1ERT	A	88	GLU	3.7		1TRW, 4TRX	Reduced pKa from Qin1996; 1ERT is X-RAY structure in REDUCED form, 1TRW is NMR structure, so use 1ERT	1ERU.A,2O89.A	1ERU.A			0.08	298 K	1.9-10.0	100 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
936	Thioredoxin	Human	Alt. pKa (state)	1ERU	A	88	GLU	3.6		1TRS	Oxidized pKa from Qin1996; 1ERU is X-RAY structure in OXIDIZED form, 1TRS is SOLUTION NMR structure, so use 1ERU	1ERT.A,2O89.A	1ERT.A			0.05	298 K	1.9-10		NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
937	Thioredoxin	Human	Main	1ERT	A	95	GLU	4.1		1TRW, 4TRX	Reduced pKa from Qin1996; 1ERT is X-RAY structure in REDUCED form, 1TRW is NMR structure, so use 1ERT	1ERU.A,2O89.A	1ERU.A			0.02	298 K	1.9-10.0	100 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
938	Thioredoxin	Human	Alt. pKa (state)	1ERU	A	95	GLU	4.1		1TRS	Oxidized pKa from Qin1996; 1ERU is X-RAY structure in OXIDIZED form, 1TRS is SOLUTION NMR structure, so use 1ERU	1ERT.A,2O89.A	1ERT.A			0.04	298 K	1.9-10		NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
939	Thioredoxin	Human	Main	1ERT	A	98	GLU	3.9		1TRW, 4TRX	Reduced pKa from Qin1996; 1ERT is X-RAY structure in REDUCED form, 1TRW is NMR structure, so use 1ERT	1ERU.A,2O89.A	1ERU.A			0.02	298 K	1.9-10.0	100 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
940	Thioredoxin	Human	Alt. pKa (state)	1ERU	A	98	GLU	3.9		1TRS	Oxidized pKa from Qin1996; 1ERU is X-RAY structure in OXIDIZED form, 1TRS is SOLUTION NMR structure, so use 1ERU	1ERT.A,2O89.A	1ERT.A			0.04	298 K	1.9-10		NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
941	Thioredoxin	Human	Main	1ERT	A	103	GLU	4.4		1TRW, 4TRX	Reduced pKa from Qin1996; 1ERT is X-RAY structure in REDUCED form, 1TRW is NMR structure, so use 1ERT	1ERU.A,2O89.A	1ERU.A			0.07	298 K	1.9-10.0	101 mM	NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
942	Thioredoxin	Human	Alt. pKa (state)	1ERU	A	103	GLU	4.5		1TRS	Oxidized pKa from Qin1996; 1ERU is X-RAY structure in OXIDIZED form, 1TRS is SOLUTION NMR structure, so use 1ERU	1ERT.A,2O89.A	1ERT.A			0.06	298 K	1.9-10		NMR	https://pubs.acs.org/doi/abs/10.1021/bi952299h
943	Thioredoxin	Human	Main	1ERT	A	105	C-term	3.2		1TRW, 4TRX	Reduced pKa from Forman1992	1ERU.A,2O89.A	1ERU.A		C/N-term	0.1	313 K	2.1-10.6	75-100 mM	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00128a019
944	Thioredoxin-1	Staphylococcus Aureus	Main	2O89	A	29	CYS	6.4	P31T,C32S			1ERT.A,1ERU.A,1XOB.A,2FD3.A,2TRX.A									https://doi.org/10.1089/ars.2012.4521
945	Thioredoxin-1	Escherichia Coli	Main	1XOB	A	32	CYS	7.1				2FD3.A,2O89.A,2TRX.A	2FD3.A,2TRX.A								https://doi.org/10.1089/ars.2012.4521
946	Thioredoxin-2	Escherichia Coli	Main	2PPT	A	73	CYS	5.2			2PPT is Rhodobacter capsulatus Trx2, diff from pKa’s species										https://doi.org/10.1089/ars.2012.4521
947	Triosephosphate Isomerase	Yeast	Main	1YPI	A	95	HIS	<4.5		1TRE, 5TIM	The gene encoding triosephosphate isomerase was from baker’s yeast, so use 1YPI.				pKa: range or ~		298 K	4.5-10.0	1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi00067a024
948	Triosephosphate Isomerase	Yeast	Main	1YPI	A	103	HIS	7.29		1TRE, 5TIM							298 K	4.5-10.0	1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi00067a024
949	Tryparedoxin	Trypanosoma Brucei	Main	1O73	A	40	CYS	7.2												pH dependence of UV absorption at 240 nm	https://doi.org/10.1089/ars.2012.4521
950	Trypsin, Trypsinogen	Bovine	Main	4PTI	A	1	N-term	8.1				1BPI.A	1BPI.A		C/N-term	0.1	293 K	0-16	200 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
951	Trypsin, Trypsinogen	Bovine	Main	4PTI	A	3	ASP	3				1BPI.A	1BPI.A			0.1	293 K	0-16	150 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
952	Trypsin, Trypsinogen	Bovine	Main	4PTI	A	7	GLU	3.7				1BPI.A	1BPI.A			0.1	293 K	0-16	150 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
953	Trypsin, Trypsinogen	Bovine	Main	4PTI	A	10	TYR	10.4				1BPI.A	1BPI.A			0.2	298 K	5.0-13.0	0.1 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00688a008
954	Trypsin, Trypsinogen	Bovine	Main	4PTI	A	15	LYS	10.6				1BPI.A	1BPI.A			0.1	293 K	0-16	150 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
955	Trypsin, Trypsinogen	Bovine	Main	4PTI	A	21	TYR	11.1				1BPI.A	1BPI.A			0.2	298 K	5.0-13.0	0.1 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00688a008
956	Trypsin, Trypsinogen	Bovine	Main	4PTI	A	23	TYR	11.7				1BPI.A	1BPI.A			0.2	298 K	5.0-13.0	0.1 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00688a008
957	Trypsin, Trypsinogen	Bovine	Main	4PTI	A	26	LYS	10.6				1BPI.A	1BPI.A			0.1	293 K	0-16	150 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
958	Trypsin, Trypsinogen	Bovine	Main	4PTI	A	35	TYR	11.1				1BPI.A	1BPI.A			0.2	298 K	5.0-13.0	0.1 M	1H NMR	https://pubs.acs.org/doi/abs/10.1021/bi00688a008
959	Trypsin, Trypsinogen	Bovine	Main	4PTI	A	41	LYS	10.8				1BPI.A	1BPI.A			0.1	293 K	0-16	150 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
960	Trypsin, Trypsinogen	Bovine	Main	4PTI	A	46	LYS	10.6				1BPI.A	1BPI.A			0.1	293 K	0-16	150 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
961	Trypsin, Trypsinogen	Bovine	Main	4PTI	A	49	GLU	3.8				1BPI.A	1BPI.A			0.1	293 K	0-16	150 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
962	Trypsin, Trypsinogen	Bovine	Main	4PTI	A	50	ASP	3.4				1BPI.A	1BPI.A			0.1	293 K	0-16	150 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
963	Trypsin, Trypsinogen	Bovine	Main	4PTI	A	58	C-term	2.9				1BPI.A	1BPI.A		C/N-term	0.1	293 K	0-16	200 mM	NMR	https://www.sciencedirect.com/science/article/pii/S0022283684713015?via%3Dihub
964	Trypsinogen	Bovine	Main	2TGA	A	40	HIS	4.57				1EX3.A				0.02	303 K	3.0-9.0	0.5 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi00615a008
965	Trypsinogen	Bovine	Main	2TGA	A	57	HIS	7.33				1EX3.A				0.02	303 K	3.0-9.0	0.5 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi00615a008
966	Ubiquitin Conjugating Enzyme, UbcH10	Human	Main	1I7K	A	102	CYS	10.9	C114S		1I7K: C114S, CYS-114-SER	1JAS.A,1JBB.A				0.2	303 K	6.0-12.0		UV spectrophotometry	https://pubs.acs.org/doi/abs/10.1021/bi0514459
967	Ubiquitin	Human	Main	1UBQ	A	16	GLU	3.9								0.1	303 K	1.0-7.0	0.1 M	NMR	https://pubs.acs.org/doi/10.1021/bi025571d
968	Ubiquitin	Human	Main	1UBQ	A	21	ASP	3.1								0.1	303 K	1.0-7.0	0.1 M	NMR	https://pubs.acs.org/doi/10.1021/bi025571d
969	Ubiquitin	Human	Main	1UBQ	A	24	GLU	4.3								0.1	303 K	1.0-7.0	0.1 M	NMR	https://pubs.acs.org/doi/10.1021/bi025571d
970	Ubiquitin	Human	Main	1UBQ	A	32	ASP	3.8								0.1	303 K	1.0-7.0	0.1 M	NMR	https://pubs.acs.org/doi/10.1021/bi025571d
971	Ubiquitin	Human	Main	1UBQ	A	34	GLU	4.5								0.1	303 K	1.0-7.0	0.1 M	NMR	https://pubs.acs.org/doi/10.1021/bi025571d
972	Ubiquitin	Human	Main	1UBQ	A	39	ASP	3.6								0.1	303 K	1.0-7.0	0.1 M	NMR	https://pubs.acs.org/doi/10.1021/bi025571d
973	Ubiquitin	Human	Main	1UBQ	A	51	GLU	3.8								0.1	303 K	1.0-7.0	0.1 M	NMR	https://pubs.acs.org/doi/10.1021/bi025571d
974	Ubiquitin	Human	Main	1UBQ	A	52	ASP	3.4								0.1	303 K	1.0-7.0	0.1 M	NMR	https://pubs.acs.org/doi/10.1021/bi025571d
975	Ubiquitin	Human	Main	1UBQ	A	58	ASP	3.6								0.1	303 K	1.0-7.0	0.1 M	NMR	https://pubs.acs.org/doi/10.1021/bi025571d
976	Ubiquitin	Human	Main	1UBQ	A	64	GLU	4.5								0.1	303 K	1.0-7.0	0.1 M	NMR	https://pubs.acs.org/doi/10.1021/bi025571d
977	Ubiquitin	Human	Main	1UBQ	A	76	C-term	3.3							C/N-term	0.1	303 K	1.0-7.0	0.1 M	NMR	https://pubs.acs.org/doi/10.1021/bi025571d
978	Ubiquitin Conjugating Enzyme E2	Yeast	Main	1JBB	A	87	CYS	11.1				1I7K.A,1JAS.A				0.1	303 K	6.0-12.0	30 mM	UV spectrophotometry	https://www.ncbi.nlm.nih.gov/pubmed/16342931
979	Ubiquitin Conjugating Enzyme E2	Human	Main	1JAS	A	88	CYS	10.2				1I7K.A,1JBB.A				0.2	303 K	6.0-12.0	30 mM	UV spectrophotometry	https://www.ncbi.nlm.nih.gov/pubmed/16342931
980	UDP-galactose 4-epimerase	Escherichia Coli	Main	1KVR	A	149	TYR	6.71	S124A							0.06	300 K	5.5-10.5	600 mM	Potentiometric titration	https://www.ncbi.nlm.nih.gov/pubmed/9271498
981	UDP-galactose 4-epimerase	Escherichia Coli	Alt. pKa (mutant)	1KVT	A	149	TYR	6.86	S124V							0.17	300 K	5.5-10.5	600 mM	Potentiometric titration	https://www.ncbi.nlm.nih.gov/pubmed/9271498
982	UDP-galactose 4-epimerase	Escherichia Coli	Alt. pKa (mutant)	1KVS	A	149	TYR	6.28	S124T							0.08	300 K	5.5-10.5	600 mM	Potentiometric titration	https://www.ncbi.nlm.nih.gov/pubmed/9271498
983	Villin	Chicken	Main	1VII	A	44	ASP	3.04			1YRF: N68H					0.12	298K	2.0-7.0	0M	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8197028/pdf/nihms-1705730.pdf
984	Villin	Chicken	Main	1VII	A	45	GLU	3.95			1YRF: N68H					0.2	298K	2.0-7.0	0M	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8197028/pdf/nihms-1705730.pdf
985	Villin	Chicken	Main	1VII	A	46	ASP	3.44			1YRF: N68H					0.11	298K	2.0-7.0	0M	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8197028/pdf/nihms-1705730.pdf
986	Villin	Chicken	Main	1VII	A	72	GLU	4.37			1YRF: N68H					0.03	298K	2.0-7.0	0M	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8197028/pdf/nihms-1705730.pdf
987	Villin	Chicken	Main	1VII	A	76	C-term	2.91							C/N-term	0.08	298K	2.0-7.0	0M	NMR	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8197028/pdf/nihms-1705730.pdf
988	Xylanase	Bacillus Agaradhaerens	Main	1QH7	A	5	ASP	3.84		1H4G		1HV0.A,1HV1.A,1XNB.A				0.02	303 K	3.2-8.7	1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi049948m
989	Xylanase	Bacillus Agaradhaerens	Main	1QH7	A	11	HIS	6.52		1H4G		1HV0.A,1HV1.A,1XNB.A				0.26	303 K	3.2-8.7	1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi049948m
990	Xylanase	Bacillus Agaradhaerens	Main	1QH7	A	12	ASP	3.94		1H4G		1HV0.A,1HV1.A,1XNB.A				0.14	303 K	3.2-8.7	1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi049948m
991	Xylanase	Bacillus Agaradhaerens	Main	1QH7	A	15	ASP	3.35		1H4G		1HV0.A,1HV1.A,1XNB.A				0.14	303 K	3.2-8.7	1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi049948m
992	Xylanase	Bacillus Agaradhaerens	Main	1QH7	A	17	GLU	4.31		1H4G		1HV0.A,1HV1.A,1XNB.A				0.07	303 K	3.2-8.7	1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi049948m
993	Xylanase	Bacillus Agaradhaerens	Main	1QH7	A	21	ASP	3.46		1H4G		1HV0.A,1HV1.A,1XNB.A				0.13	303 K	3.2-8.7	1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi049948m
994	Xylanase	Bacillus Agaradhaerens	Main	1QH7	A	32	HIS	6.68		1H4G		1HV0.A,1HV1.A,1XNB.A				0.03	303 K	3.2-8.7	1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi049948m
995	Xylanase	Bacillus Agaradhaerens	Main	1QH7	A	56	GLU	4.55		1H4G		1HV0.A,1HV1.A,1XNB.A				0.02	303 K	3.2-8.7	1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi049948m
996	Xylanase	Bacillus Agaradhaerens	Main	1QH7	A	60	HIS	4.01		1H4G		1HV0.A,1HV1.A,1XNB.A				0.02	303 K	3.2-8.7	1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi049948m
997	Xylanase	Bacillus Agaradhaerens	Main	1QH7	A	90	ASP	3.88		1H4G		1HV0.A,1HV1.A,1XNB.A				0.07	303 K	3.2-8.7	1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi049948m
998	Xylanase	Bacillus Agaradhaerens	Main	1QH7	A	94	GLU	3.94		1H4G		1HV0.A,1HV1.A,1XNB.A				0.04	303 K	3.2-8.7	1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi049948m
999	Xylanase	Bacillus Agaradhaerens	Main	1QH7	A	99	ASP	<2.7		1H4G		1HV0.A,1HV1.A,1XNB.A			pKa: range or ~		303 K	3.2-8.7	1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi049948m
1000	Xylanase	Bacillus Agaradhaerens	Main	1QH7	A	118	ASP	<2.7		1H4G		1HV0.A,1HV1.A,1XNB.A			pKa: range or ~		303 K	3.2-8.7	1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi049948m
1001	Xylanase	Bacillus Agaradhaerens	Main	1QH7	A	123	ASP	<2.7		1H4G		1HV0.A,1HV1.A,1XNB.A			pKa: range or ~		303 K	3.2-8.7	1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi049948m
1002	Xylanase	Bacillus Agaradhaerens	Main	1QH7	A	126	GLU	4.51		1H4G		1HV0.A,1HV1.A,1XNB.A				0.02	303 K	3.2-8.7	1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi049948m
1003	Xylanase	Bacillus Agaradhaerens	Main	1QH7	A	162	HIS	<2.7		1H4G		1HV0.A,1HV1.A,1XNB.A			pKa: range or ~		303 K	3.2-8.7	1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi049948m
1004	Xylanase	Bacillus Agaradhaerens	Main	1QH7	A	167	GLU	3.58		1H4G		1HV0.A,1HV1.A,1XNB.A				0.13	303 K	3.2-8.7	1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi049948m
1005	Xylanase	Bacillus Agaradhaerens	Main	1QH7	A	178	GLU	4.1		1H4G		1HV0.A,1HV1.A,1XNB.A				0.2	303 K	3.2-8.7	1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi049948m
1006	Xylanase	Bacillus Agaradhaerens	Main	1QH7	A	184	GLU	6.5		1H4G		1HV0.A,1HV1.A,1XNB.A				0.2	303 K	3.2-8.7	1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi049948m
1007	Xylanase	Bacillus Agaradhaerens	Main	1QH7	A	207	C-term	3.9		1H4G		1HV0.A,1HV1.A,1XNB.A			C/N-term	0.1	303 K	3.2-8.7	1 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi049948m
1008	Xylanase	Bacillus Circulans	Main	1XNB	A	4	ASP	3		1BCX		1HV0.A,1HV1.A,1QH7.A	1HV0.A,1HV1.A			0.1	298 K	2.0-9.0	25 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/9416621
1009	Xylanase	Bacillus Circulans	Main	1XNB	A	11	ASP	2.5		1BCX		1HV0.A,1HV1.A,1QH7.A	1HV0.A,1HV1.A			0.1	298 K	2.0-9.0	25 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/9416621
1010	Xylanase	Bacillus Circulans	Main	1XNB	A	78	GLU	4.6		1BCX		1HV0.A,1HV1.A,1QH7.A	1HV0.A,1HV1.A			0.1	298 K	2.0-9.0	25 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/9416621
1011	Xylanase	Bacillus Circulans	Alt. pKa (mutant)	1HV1	A	78	GLU	4.2	Q127A			1HV0.A,1QH7.A,1XNB.A	1HV0.A,1XNB.A			0.1	298 K	2.5-9.0	0.05 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi0105429
1012	Xylanase	Bacillus Circulans	Alt. pKa (mutant)	1HV0	A	78	GLU	5	Y80F			1HV1.A,1QH7.A,1XNB.A	1HV1.A,1XNB.A			0.1	298 K	2.5-9.0	0.05 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi0105429
1013	Xylanase	Bacillus Circulans	Main	1XNB	A	83	ASP	<2.0		1BCX		1HV0.A,1HV1.A,1QH7.A	1HV0.A,1HV1.A		pKa: range or ~	0.1	298 K	2.0-9.0	25 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/9416621
1014	Xylanase	Bacillus Circulans	Main	1XNB	A	101	ASP	<2.0		1BCX		1HV0.A,1HV1.A,1QH7.A	1HV0.A,1HV1.A		pKa: range or ~	0.1	298 K	2.0-9.0	25 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/9416621
1015	Xylanase	Bacillus Circulans	Main	1XNB	A	106	ASP	2.7		1BCX		1HV0.A,1HV1.A,1QH7.A	1HV0.A,1HV1.A			0.1	298 K	2.0-9.0	25 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/9416621
1016	Xylanase	Bacillus Circulans	Main	1XNB	A	119	ASP	3.2		1BCX		1HV0.A,1HV1.A,1QH7.A	1HV0.A,1HV1.A			0.1	298 K	2.0-9.0	25 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/9416621
1017	Xylanase	Bacillus Circulans	Main	1XNB	A	121	ASP	3.6		1BCX		1HV0.A,1HV1.A,1QH7.A	1HV0.A,1HV1.A			0.1	298 K	2.0-9.0	25 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/9416621
1018	Xylanase	Bacillus Circulans	Main	1XNB	A	149	HIS	<2.3		1BCX		1HV0.A,1HV1.A,1QH7.A	1HV0.A,1HV1.A		pKa: range or ~	0.1	298 K	2.0-9.0	25 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/9416621
1019	Xylanase	Bacillus Circulans	Main	1XNB	A	156	HIS	~6.5		1BCX		1HV0.A,1HV1.A,1QH7.A	1HV0.A,1HV1.A		pKa: range or ~	0.1	298 K	2.0-9.0	25 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/9416621
1020	Xylanase	Bacillus Circulans	Main	1XNB	A	172	GLU	7.2		1BCX		1HV0.A,1HV1.A,1QH7.A	1HV0.A,1HV1.A			0.1	298 K	2.0-9.0	25 mM	NMR	https://www.ncbi.nlm.nih.gov/pubmed/9416621
1021	Xylanase	Bacillus Circulans	Alt. pKa	1XNB	A	172	GLU	6.7				1HV0.A,1HV1.A,1QH7.A	1HV0.A,1HV1.A			0.1	298 K	2.5-9.0	0.05 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi0105429
1022	Xylanase	Bacillus Circulans	Alt. pKa (mutant)	1HV1	A	172	GLU	7.3	Q127A			1HV0.A,1QH7.A,1XNB.A	1HV0.A,1XNB.A			0.1	298 K	2.5-9.0	0.05 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi0105429
1023	Xylanase	Bacillus Circulans	Alt. pKa (mutant)	1HV0	A	172	GLU	7.9	Y80F			1HV1.A,1QH7.A,1XNB.A	1HV1.A,1XNB.A			0.1	298 K	2.5-9.0	0.05 M	NMR	https://pubs.acs.org/doi/abs/10.1021/bi0105429
1024	Xylanase	Bacillus Circulans	Main	1XNB	A	185	C-term	2.7		1BCX		1HV0.A,1HV1.A,1QH7.A	1HV0.A,1HV1.A		C/N-term	0.1	308 K	2.0-9.0	2.5 M	NMR	https://www.ncbi.nlm.nih.gov/pubmed/9416621