Supplementary
material: Table 1. List of protein structures, all solved from
X-ray crystallography at ultra high resolution, as available in June 2002 along
with their refinement and structural data.
PDB ID |
Protein
Name |
Resolu-tion
(Å) |
Refinement
program |
R-Factor |
No of
Amino acids |
No of
chains |
No of
highly non planar peptides |
Test of skew |
|
w<170o |
w>091o |
||||||||
1A6G |
Carbonmonoxy-Myoglobin |
1.15 |
SHELXL-97 |
0.1284 |
151 |
1 |
2 |
3 |
0.146 |
1A6K |
Aquomet-Myoglobin |
1.1 |
SHELXL-97 |
0.1323 |
151 |
1 |
3 |
4 |
0.183 |
1A6M |
Oxy-Myoglobin |
1 |
SHELXL-97 |
0.1269 |
151 |
1 |
1 |
4 |
0.168 |
1A6N |
Deoxy-Myoglobin |
1.15 |
SHELXL-97 |
0.1225 |
|
1 |
3 |
3 |
-0.149 |
1A7S |
Serine Protease Homolog |
1.12 |
SHELXL-96 |
0.159 |
221 |
1 |
13 |
4 |
-0.983 |
1AB1 |
Crambin |
0.89 |
PROLSQ |
0.147 |
46 |
1 |
2 |
2 |
0.431 |
1AGY |
Serine Esterase |
1.15 |
X-PLOR
3.1 |
0.175 |
200 |
1 |
9 |
11 |
0.225 |
1AHO |
Neurotoxin |
0.96 |
PROFFT |
0.158 |
64 |
1 |
4 |
0 |
-0.523 |
1AMM |
Gamma B-Crystallin |
1.2 |
RESTRAIN |
0.185 |
174 |
1 |
10 |
4 |
-0.123 |
1ARB |
Achromobacter Protease I |
1.2 |
PROLSQ |
0.149 |
268 |
1 |
4 |
1 |
-0.291 |
1ATG |
Periplasmic Molybdate-Binding Protein |
1.2 |
REFMAC |
0.1644 |
231 |
1 |
5 |
1 |
-0.435 |
1B0Y |
Electron Transport |
0.93 |
SHELXL-97 |
0.155 |
85 |
1 |
6 |
2 |
-0.421 |
1B6G |
Haloalkane Dehalogenase |
1.15 |
SHELXL-97 |
0.1051 |
310 |
1 |
18 |
18 |
-0.058 |
1B9O |
Alpha-Lactalbumin |
1.15 |
SHELXL-93 |
0.122 |
123 |
1 |
5 |
6 |
0.029 |
1BKR |
Actin-Binding |
1.1 |
SHELXL-97 |
0.141 |
109 |
1 |
1 |
2 |
-0.092 |
1BPI |
Proteinase Inhibitor |
1.1 |
SHELXL-92 |
0.146 |
58 |
1 |
10 |
7 |
-0.253 |
1BQ8 |
Rubredoxin |
1.1 |
SHELXL-93 |
0.119 |
54 |
1 |
4 |
2 |
-0.02 |
1BQ9 |
Rubredoxin |
1.2 |
SHELXL-93 |
0.137 |
54 |
1 |
3 |
1 |
-0.204 |
1BRF |
Rubredoxin |
0.95 |
SHELXL-93 |
0.128 |
53 |
1 |
4 |
4 |
-0.006 |
1BS9 |
Serine Hydrolase |
1.1 |
SHELXL-97 |
0.1226 |
207 |
1 |
5 |
11 |
0.132 |
1BX7 |
Hirustasin |
1.2 |
SHELXL-97 |
0.1794 |
55 |
1 |
2 |
1 |
0.146 |
1BXO |
Penicillopepsin |
0.95 |
SHELXL-97 |
0.099 |
323 |
1 |
22 |
11 |
0.493 |
1BYI |
Dethiobiotin Synthase |
0.97 |
SHELXL-97 |
0.1158 |
224 |
1 |
12 |
7 |
-0.028 |
1BZ6 |
Aquomet-Myoglobin |
1.2 |
SHELXL-96 |
0.091 |
153 |
1 |
2 |
6 |
0.268 |
1BZP |
Myoglobin |
1.15 |
SHELXL-96 |
0.114 |
153 |
1 |
0 |
4 |
0.235 |
1BZR |
Myoglobin |
1.15 |
SHELXL-96 |
0.124 |
153 |
1 |
3 |
6 |
0.417 |
1C0P |
Oxidoreductase |
1.2 |
SHELXL-97 |
0.116 |
363 |
1 |
21 |
16 |
0.248 |
1C5E |
Bacteriophage Lambda Head Protein D |
1.1 |
SHELXL-97 |
0.099 |
95 |
1 |
7 |
2 |
-0.427 |
1C75 |
Cytochrome C-553 |
0.97 |
SHELXL-97 |
0.116 |
71 |
1 |
6 |
4 |
0.071 |
1C7K |
Zinc Protease |
1 |
SHELXL-97 |
0.148 |
132 |
1 |
5 |
7 |
0.255 |
1C9O |
Cold Shock Protein Bc-Csp |
1.17 |
SHELXL-97 |
0.124 |
66 |
1 |
2 |
0 |
-0.514 |
1CBN |
Crambin |
0.83 |
PROLSQ |
0.106 |
46 |
1 |
2 |
2 |
0.254 |
1CC7 |
Atx1 Metallochaperone |
1.2 |
SHELXL-97 |
0.145 |
73 |
1 |
7 |
1 |
-0.6 |
1CC8 |
Atx1 Metallochaperone |
1.02 |
SHELXL-97 |
0.146 |
73 |
1 |
8 |
2 |
-0.174 |
1CEX |
Cutinase |
1 |
SHELXL-93 |
0.119 |
214 |
1 |
9 |
4 |
-0.137 |
1CKU |
Electron Transfer |
1.2 |
SHELXL-97 |
0.132 |
85 |
2 |
5 |
1 |
-0.249 |
85 |
8 |
1 |
-0.453 |
||||||
1CNR |
Crambin |
1.05 |
PROLSQ |
0.105 |
46 |
1 |
1 |
2 |
0.36 |
1CSE |
Serine Proteinase-Inhibito |
1.2 |
EREF |
0.178 |
274 |
2 |
15 |
23 |
0.218 |
71 |
7 |
4 |
-0.808 |
||||||
1CTJ |
Cytochrome C6 |
1.1 |
SHELXL-96 |
0.1377 |
89 |
1 |
2 |
4 |
-0.047 |
1CXQ |
Asv Integrase |
1.02 |
SHELXL-96 |
0.129 |
162 |
1 |
6 |
1 |
-0.28 |
1CZ9 |
Asv Integrase |
1.2 |
SHELXL-97 |
0.146 |
162 |
1 |
9 |
2 |
-0.358 |
1CZB |
Asv Integrase |
1.06 |
SHELXL-96 |
0.143 |
162 |
1 |
6 |
2 |
-0.145 |
1CZP |
Ferredoxin |
1.17 |
SHELXL-97 |
0.14 |
98 |
2 |
8 |
0 |
-0.604 |
98 |
7 |
3 |
-0.395 |
||||||
1D2U |
Nitrophorin 4 |
1.15 |
SHELXL-97 |
0.13 |
184 |
1 |
2 |
1 |
-0.547 |
1D4T |
Xlp Protein Sap |
1.1 |
SHELXL-97 |
0.13 |
104 |
1 |
5 |
8 |
0.037 |
1D5T |
Hydrolase Inhibitor |
1.04 |
SHELXL-97 |
0.172 |
433 |
1 |
25 |
12 |
-0.261 |
1DJT |
Scorpion Alpha-Like Toxin |
1.2 |
SHELXL-97 |
0.109 |
64 |
1 |
3 |
1 |
0.128 |
1DS1 |
Clavaminate Synthase |
1.08 |
SHELXL-97 |
0.166 |
324 |
1 |
24 |
12 |
-0.21 |
1DY5 |
Ribonuclease A |
0.87 |
SHELXL-97 |
0.1009 |
124 |
2 |
12 |
9 |
0.11 |
124 |
11 |
7 |
-0.095 |
||||||
1E0W |
Xylanase A |
1.2 |
REFMAC |
0.098 |
313 |
1 |
14 |
8 |
-0.027 |
1E4M |
Myrosinase |
1.2 |
REFMAC |
0.124 |
501 |
1 |
30 |
17 |
-0.142 |
1E9G |
Inorganic Pyrophosphatase |
1.15 |
SHELXL-97 |
0.1101 |
286 |
2 |
20 |
16 |
0.162 |
286 |
24 |
15 |
0.125 |
||||||
1EB6 |
Deuterolysin |
1 |
REFMAC_5.0.36 |
0.104 |
177 |
1 |
8 |
6 |
0.053 |
1EJG |
Crambin |
0.54 |
MOLLY |
0.09 |
46 |
1 |
2 |
3 |
0.389 |
1EUW |
Dutpase |
1.05 |
SHELXL-97 |
0.141 |
152 |
1 |
11 |
1 |
-0.084 |
1EXR |
Calmodulin |
1 |
SHELXL-97 |
0.134 |
148 |
1 |
1 |
4 |
-0.007 |
1F86 |
Transthyretin |
1.1 |
SHELXL-97 |
0.147 |
115 |
2 |
11 |
2 |
-0.366 |
115 |
9 |
3 |
-0.48 |
||||||
1F94 |
Bucandin |
0.97 |
SHELXL-97 |
0.123 |
63 |
1 |
5 |
1 |
-0.655 |
1F98 |
Photoactive Yellow Protein |
1.15 |
SHELXL-97 |
0.136 |
125 |
1 |
8 |
9 |
-0.103 |
1F9I |
Photoactive Yellow Protein |
1.1 |
SHELXL-97 |
0.144 |
125 |
1 |
9 |
7 |
-0.562 |
1FN8 |
Trypsin |
0.81 |
SHELXL-97 |
0.108 |
224 |
1 |
19 |
15 |
-0.298 |
1FSG |
Transferase |
1.05 |
SHELXL-97 |
0.122 |
233 |
2 |
16 |
10 |
-0.075 |
233 |
15 |
11 |
-0.173 |
||||||
1FXM |
Xylanase |
1.14 |
SHELXL-97 |
0.113 |
302 |
1 |
16 |
14 |
-0.244 |
1FY2 |
Aspartyl Dipeptidase |
1.2 |
CNS |
0.218 |
229 |
1 |
0 |
1 |
0.088 |
1FY4 |
Trypsin |
0.81 |
SHELXL-97 |
0.108 |
224 |
1 |
18 |
13 |
-0.35 |
1FY5 |
Oxysporum Trypsin |
0.81 |
SHELXL-97 |
0.124 |
224 |
1 |
18 |
15 |
-0.249 |
1FYE |
Aspartyl Dipeptidase |
1.2 |
SHELXL-97 |
0.159 |
229 |
1 |
11 |
8 |
0.026 |
1G2B |
Spectrin Alpha Chain |
1.12 |
SHELXL-97 |
0.148 |
62 |
1 |
5 |
2 |
-0.134 |
1G2Z |
Hnf-1alpha |
1.15 |
CNS |
0.216 |
32 |
1 |
1 |
0 |
0.325 |
1G2y |
Hepatocyte Nuclear Factor 1-Alpha |
1 |
CNS |
0.195 |
32 |
1 |
1 |
0 |
1.049 |
1G6X |
Bovine Pancreatic Trypsin Inhibitor |
0.86 |
SHELXL-97 |
0.107 |
58 |
1 |
4 |
6 |
-0.34 |
1G7A |
Human Insulin |
1.2 |
CNS 1.0 |
0.169 |
21 |
8 |
0 |
0 |
0.263 |
30 |
0 |
0 |
0.345 |
||||||
21 |
0 |
0 |
-0.57 |
||||||
30 |
0 |
0 |
-0.738 |
||||||
21 |
0 |
0 |
-0.609 |
||||||
30 |
0 |
0 |
0.09 |
||||||
21 |
0 |
0 |
0.648 |
||||||
30 |
0 |
0 |
0.437 |
||||||
1G8T |
Sm Endonuclease |
1.1 |
REFMAC
4.0.2 |
0.129 |
245 |
2 |
25 |
12 |
-0.246 |
245 |
25 |
9 |
-0.333 |
||||||
1GA6 |
Serine-Carboxyl Proteinase |
1 |
SHELXL-97 |
0.099 |
372 |
1 |
20 |
15 |
0.119 |
1GCI |
Subtilisin |
0.78 |
SHELXL |
0.0993 |
269 |
1 |
9 |
13 |
0.34 |
1GDN |
Fusarium Oxysporum Trypsin |
0.81 |
SHELXL-97 |
0.108 |
|
1 |
19 |
12 |
-0.466 |
1GDQ |
Fusarium Oxysporum Trypsin |
0.93 |
SHELXL-97 |
0.099 |
224 |
1 |
16 |
11 |
-0.979 |
1GDU |
Fusarium Oxysporum Trypsin |
1.07 |
SHELXL-97 |
0.104 |
224 |
1 |
16 |
3 |
-0.916 |
1GKM |
Histidine Ammonia-Lyase |
1 |
SHELX |
0.119 |
509 |
1 |
28 |
20 |
-0.003 |
1GMX |
Glpe Sulfurtransferase |
1.1 |
REFMAC |
0.12799 |
108 |
1 |
2 |
1 |
-0.319 |
1GOK |
Thermostable Xylanase I |
1.14 |
CNS |
0.18 |
303 |
1 |
0 |
0 |
-0.906 |
1GQV |
Eosinophil-Derived Neurotoxin |
0.98 |
SHELXL-97 |
0.116 |
135 |
1 |
9 |
7 |
-0.107 |
1GWE |
Lysodeikticus Catalase |
0.88 |
REFMAC |
0.08899 |
503 |
1 |
35 |
18 |
-0.225 |
1GYO |
Di-Tetraheme Cytochrome C3 |
1.2 |
SHELXL-97 |
0.1303 |
109 |
1 |
9 |
3 |
-0.261 |
1H4G |
Family 11 Xylanases |
1.1 |
REFMAC |
0.158 |
207 |
2 |
18 |
5 |
-0.325 |
207 |
21 |
5 |
-0.326 |
||||||
1H4X |
Spoiiaa |
1.16 |
REFMAC_5.0.36 |
0.133 |
117 |
2 |
7 |
0 |
-0.024 |
117 |
6 |
1 |
-0.074 |
||||||
1H97 |
Trematode Hemoglobin |
1.17 |
SHELXL-97 |
0.173 |
147 |
2 |
1 |
1 |
0.214 |
147 |
1 |
1 |
0.224 |
||||||
1HBN |
Methyl-Coenzyme M Reductase |
1.16 |
REFMAC |
0.124 |
549 |
6 |
37 |
30 |
0.124 |
442 |
17 |
28 |
0.378 |
||||||
248 |
23 |
15 |
0.026 |
||||||
549 |
34 |
31 |
0.04 |
||||||
442 |
13 |
26 |
0.342 |
||||||
248 |
22 |
14 |
0.181 |
||||||
1HDO |
Biliverdin-Ix Beta Reductase |
1.15 |
SHELXL-97/2 |
0.124 |
206 |
1 |
14 |
12 |
0.261 |
1HE2 |
Biliverdin-Ix Beta Reductase |
1.2 |
SHELXL-97/2 |
0.122 |
206 |
1 |
12 |
6 |
0.226 |
1HET |
Alcohol Dehydrogenase |
1.15 |
REFMAC |
0.118 |
374 |
2 |
20 |
12 |
0.22 |
374 |
13 |
9 |
0.156 |
||||||
1HEU |
Alcohol Dehydrogenase |
1.15 |
REFMAC |
0.118 |
374 |
2 |
18 |
8 |
0.278 |
374 |
14 |
8 |
0.286 |
||||||
1HF5 |
Endoglucanase B |
1.1 |
REFMAC
5.0 |
0.11125 |
303 |
|
17 |
17 |
0.456 |
1HF6 |
Endoglucanase B |
1.15 |
REFMAC
5.0 |
0.114 |
303 |
|
18 |
17 |
0.414 |
1HF7 |
Endoglucanase B |
1.1 |
REFMAC
5.0 |
0.1172 |
303 |
|
12 |
18 |
0.419 |
1HG7 |
Type Iii Antifreeze Protein |
1.15 |
SHELXL |
0.12 |
66 |
|
5 |
2 |
-0.081 |
1HJ8 |
Trypsin I |
1 |
SHELXL-97 |
0.118 |
222 |
|
14 |
12 |
-0.199 |
1HJ9 |
Beta-Trypsin |
0.95 |
SHELXL-97 |
0.1171 |
223 |
1 |
19 |
6 |
-0.321 |
1HVB |
Carboxypeptidase |
1.17 |
SHELXL-97 |
0.112 |
349 |
1 |
25 |
13 |
-0.129 |
1I27 |
Transcription Factor Iif |
1.02 |
SHELXL-97 |
0.126 |
73 |
1 |
3 |
1 |
0.193 |
1I2T |
Hyd Protein |
1.04 |
SHELXL-97 |
0.143 |
61 |
1 |
0 |
1 |
0.693 |
1I3H |
Concanavalin A |
1.2 |
REFMAC |
0.167 |
237 |
1 |
21 |
9 |
0.02 |
1I40 |
Inorganic Pyrophosphatase |
1.1 |
SHELXL-97 |
0.117 |
175 |
1 |
10 |
8 |
-0.092 |
1I4U |
Crustacyanin |
1.15 |
SHELXL-97 |
0.15 |
181 |
2 |
14 |
7 |
-0.11 |
181 |
14 |
7 |
0.019 |
||||||
1I6T |
Inorganic Pyrophosphatase |
1.2 |
SHELX-97 |
0.129 |
175 |
1 |
14 |
7 |
0.015 |
1I76 |
Neutrophil Collagenase |
1.2 |
SHELXL-96 |
0.129 |
163 |
1 |
14 |
7 |
-0.286 |
1I8O |
Cytochrome C2 |
1.15 |
SHELX-97 |
0.134 |
114 |
1 |
9 |
3 |
-0.327 |
1IC6 |
Proteinase K |
0.98 |
REFMAC |
0.114 |
279 |
1 |
11 |
7 |
0.316 |
1IEE |
Lysozyme C |
0.94 |
SHELXL-97 |
0.123 |
129 |
1 |
7 |
4 |
-0.281 |
1IFC |
Intestinal Fatty Acid Binding Protein |
1.19 |
X-PLOR |
0.169 |
132 |
1 |
0 |
0 |
-0.364 |
1IGD |
Protein G |
1.1 |
PROLSQ |
0.193 |
61 |
1 |
0 |
0 |
-0.33 |
1IJV |
Beta-Defensin 1 |
1.2 |
SHELXL-97 |
0.161 |
36 |
1 |
3 |
0 |
-0.778 |
1IQZ |
Ferredoxin |
0.92 |
SHELXL-97 |
0.097 |
81 |
1 |
4 |
4 |
-0.086 |
1IR0 |
Rubredoxin |
1.1 |
SHELXL-93 |
0.0903 |
54 |
1 |
4 |
2 |
0.176 |
1IRN |
Rubredoxin |
1.2 |
SHELXL-93 |
0.1068 |
54 |
1 |
3 |
1 |
0.069 |
1IRO |
Ferredoxin |
1 |
SHELXL-97 |
0.096 |
81 |
1 |
2 |
4 |
0.272 |
1ITX |
Glycosyl Hydrolase |
1.1 |
REFMAC
5.0 |
0.178 |
419 |
1 |
15 |
8 |
-0.138 |
1IUA |
Iron-Sulfur Protein |
0.8 |
SHELXL-97 |
0.092 |
83 |
1 |
7 |
1 |
-0.469 |
1IXG |
Phosphate-Binding Protein |
1.05 |
SHELXL
96 |
0.109 |
321 |
1 |
17 |
12 |
-0.063 |
1IXH |
Phosphate-Binding Protein |
0.98 |
SHELXL
96 |
0.114 |
321 |
1 |
22 |
11 |
-0.064 |
1J98 |
Ai-2 Synthesis Protein |
1.2 |
REFMAC |
0.126 |
157 |
1 |
7 |
5 |
-0.225 |
1JBC |
Concanavalin A |
1.2 |
SHELXL
96 |
0.142 |
237 |
1 |
35 |
13 |
0.14 |
1JBE |
Chemotaxis Protein Chey |
1.08 |
SHELXL-97 |
0.121 |
128 |
1 |
4 |
3 |
0.552 |
1JCJ |
Deoxyribose-Phosphate Aldolase |
1.1 |
SHELXL-97 |
0.142 |
260 |
2 |
13 |
13 |
0.211 |
260 |
0.099 |
||||||||
1JCL |
Deoxyribose-Phosphate Aldolase |
1.05 |
SHELXL-97 |
0.143 |
260 |
2 |
13 |
13 |
0.212 |
260 |
10 |
13 |
0.211 |
||||||
1JET |
Oligo-Peptide Binding Protein |
1.2 |
PROLSQ |
0.229 |
517 |
1 |
1 |
0 |
-0.074 |
1JF8 |
Arsenate Reductase |
1.12 |
CNS |
0.208 |
131 |
1 |
0 |
0 |
0.264 |
1JFB |
Nitric-Oxide Reductase Cytochrome P450 |
1 |
SHELXL-97 |
0.102 |
404 |
1 |
18 |
19 |
-0.179 |
1JFC |
Nitric-Oxide Reductase Cytochrome P450 |
1.05 |
SHELXL-97 |
0.117 |
404 |
1 |
18 |
19 |
-0.194 |
1JG1 |
Protein-L-Isoaspartate O-Methyltransferase |
1.2 |
SHELXL-97 |
0.147 |
235 |
1 |
14 |
7 |
-0.638 |
1JK3 |
Macrophage Metalloelastase |
1.09 |
REFMAC |
0.167 |
158 |
1 |
4 |
3 |
-0.012 |
1JSE |
Lysozyme |
1.12 |
SHELXL-93 |
0.103 |
129 |
1 |
6 |
4 |
-0.143 |
1JSF |
Lysozyme |
1.15 |
SHELXL-93 |
0.112 |
130 |
1 |
3 |
6 |
-0.238 |
1JXT |
Crambin |
0.89 |
PROLSQ |
0.145 |
46 |
1 |
1 |
2 |
0.52 |
1JXU |
Crambin |
0.99 |
PROLSQ |
0.09 |
46 |
1 |
1 |
3 |
0.246 |
1JXW |
Crambin |
0.89 |
PROLSQ |
0.137 |
46 |
1 |
1 |
2 |
0.397 |
1JXX |
Crambin |
0.89 |
PROLSQ |
0.136 |
46 |
1 |
0 |
2 |
0.511 |
1JXY |
Crambin |
0.89 |
PROLSQ |
0.145 |
46 |
1 |
1 |
2 |
0.565 |
1K2A |
Ribonuclease 2 |
1 |
SHELXL-97 |
0.132 |
136 |
1 |
8 |
10 |
0.305 |
1K4I |
Phosphate Synthase |
0.98 |
TNT 5E |
0.178 |
233 |
1 |
3 |
1 |
-0.28 |
1K4O |
Phosphate Synthase |
1.1 |
TNT 5E |
0.177 |
233 |
1 |
3 |
1 |
-0.284 |
1K4P |
Phosphate Synthase |
1 |
TNT 5E |
0.178 |
233 |
1 |
4 |
0 |
-0.285 |
1K6U |
Pancreatic Trypsin Inhibitor |
1 |
SHELXL-97 |
0.128 |
58 |
1 |
4 |
5 |
0.219 |
1K7C |
Rhamnogalacturonan Acetylesterase |
1.12 |
SHELXL-97 |
0.104 |
233 |
1 |
8 |
10 |
0.113 |
1K8U |
Calcyclin |
1.15 |
REFMAC |
0.186 |
90 |
1 |
1 |
1 |
0.597 |
1KCD |
Endopolygalacturonase |
1.15 |
SHELXL-97 |
0.135 |
335 |
1 |
|
|
-0.294 |
1KDV |
Serine-Carboxyl Proteinase |
1.1 |
SHELXL-97 |
0.13 |
370 |
1 |
24 |
15 |
0.103 |
1KF2 |
Pancreatic Ribonuclease |
1.1 |
SHELXL-96 |
0.103 |
124 |
1 |
9 |
5 |
-0.247 |
1KF3 |
Pancreatic Ribonuclease |
1.05 |
SHELXL-96 |
0.102 |
124 |
1 |
11 |
5 |
-0.161 |
1KF4 |
Pancreatic Ribonuclease |
1.1 |
SHELXL-96 |
0.104 |
124 |
1 |
9 |
5 |
-0.178 |
1KF5 |
Pancreatic Ribonuclease |
1.15 |
SHELXL-96 |
0.106 |
124 |
1 |
7 |
5 |
-0.114 |
1KF7 |
Pancreatic Ribonuclease |
1.15 |
SHELXL-96 |
0.106 |
124 |
1 |
6 |
5 |
0.126 |
1KF8 |
Pancreatic Ribonuclease |
1.15 |
SHELXL-96 |
0.106 |
124 |
1 |
7 |
4 |
0.057 |
1KNL |
Xylanase A |
1.2 |
REFMAC |
0.139 |
130 |
1 |
9 |
8 |
-0.05 |
1KNM |
Xylanase A |
1.2 |
REFMAC |
0.123 |
130 |
1 |
12 |
10 |
0.072 |
1KOI |
Nitrophorin 4 |
1.08 |
SHELXL-97 |
0.115 |
184 |
1 |
25 |
7 |
-0.19 |
1KOU |
Photoactive Yellow Protein |
1.16 |
SHELXL-97 |
0.162 |
125 |
1 |
5 |
10 |
0.919 |
1KTH |
Collagen Alpha 3 |
0.95 |
SHELXL-97 |
0.136 |
58 |
1 |
4 |
4 |
0.195 |
1KWF |
Endoglucanase A |
0.94 |
SHELXL-97 |
0.094 |
363 |
1 |
16 |
19 |
0.227 |
1KZK |
Retropepsin |
1.09 |
SHELXL-97 |
0.151 |
99 |
2 |
10 |
3 |
0.232 |
99 |
8 |
2 |
-0.013 |
||||||
1L7U |
Beta-Lactamase Tem |
0.85 |
SHELXL-97 |
0.091 |
263 |
1 |
22 |
8 |
-0.042 |
1LF7 |
Complement Protein C8gamma |
1.2 |
CNS 1.1 |
0.223 |
182 |
1 |
1 |
0 |
|
1LJN |
Lysozyme C |
1.19 |
SHELXL-97 |
0.104 |
129 |
1 |
7 |
5 |
-0.233 |
1LKK |
P56 Tyrosine Kinase |
1 |
SHELXL-93 |
0.133 |
105 |
1 |
10 |
4 |
-0.055 |
1LKS |
Lysozyme |
1.1 |
SHELXL-93 |
0.0989 |
129 |
1 |
7 |
2 |
-0.819 |
1MFM |
Copper,Zinc Superoxide Dismutase |
1.02 |
SHELXL
96 |
0.118 |
153 |
1 |
15 |
7 |
-0.049 |
1MRO |
Methyl-Coenzyme M Reductase |
1.16 |
CNS 0.3 |
0.197 |
548 |
6 |
31 |
23 |
0.046 |
442 |
10 |
17 |
0.377 |
||||||
247 |
19 |
14 |
0.159 |
||||||
548 |
29 |
25 |
-0.138 |
||||||
442 |
12 |
19 |
0.439 |
||||||
247 |
17 |
14 |
0.005 |
||||||
1MUN |
Adenine Glycosylase |
1.2 |
SHELXL-97 |
0.124 |
225 |
1 |
3 |
11 |
0.532 |
1NKD |
Cole1 Repressor Of Primer |
1.07 |
SHELXL-93 |
0.104 |
65 |
1 |
1 |
0 |
0.225 |
1NLS |
Concanavalin A |
0.94 |
SHELXL
97 |
0.127 |
237 |
1 |
38 |
13 |
0.065 |
1QIO |
Lysozyme |
1.2 |
SHELXL-97 |
0.142 |
129 |
1 |
6 |
6 |
-0.087 |
1QLW |
Carboxylic Esterase |
1.1 |
REFMAC |
0.143 |
328 |
2 |
10 |
7 |
-0.416 |
328 |
12 |
10 |
-0.439 |
||||||
1QQ4 |
Alpha-Lytic Protease |
1.2 |
X-PLOR
3.851 |
0.174 |
198 |
1 |
|
|
-0.619 |
1QRW |
Alpha-Lytic Protease |
1.2 |
X-PLOR
3.851 |
0.177 |
198 |
1 |
|
|
-0.607 |
1QTN |
Caspase-8 |
1.2 |
SHELXL-97 |
0.166 |
164 |
2 |
9 |
2 |
-0.263 |
95 |
7 |
4 |
-0.142 |
||||||
1QTW |
Endonuclease Iv |
1.02 |
SHELXL-97 |
0.124 |
285 |
1 |
22 |
10 |
-0.246 |
1QU9 |
Yjgf Protein |
1.2 |
PROFFT |
0.164 |
128 |
3 * |
4 |
0 |
-1.325 |
128 |
|
||||||||
128 |
|
||||||||
1RB9 |
Rubredoxin |
0.92 |
SHELXL-97 |
0.0731 |
53 |
1 |
3 |
2 |
-0.453 |
1RGE |
Ribonuclease |
1.15 |
SHELXL-93 |
0.109 |
96 |
1 |
8 |
1 |
-0.724 |
1RGF |
Ribonuclease |
1.2 |
PROLSQ |
0.167 |
96 |
2 |
3 |
0 |
-0.83 |
96 |
3 |
0 |
-0.392 |
||||||
1RGG |
Guanyloribonuclease |
1.2 |
SHELXL-96 |
0.106 |
96 |
2 |
8 |
0 |
-0.794 |
96 |
7 |
1 |
-0.516 |
||||||
1RGH |
Guanyloribonuclease |
1.2 |
SHELXL-93 |
0.173 |
96 |
2 |
6 |
0 |
-0.906 |
96 |
7 |
2 |
-0.326 |
||||||
1SWU |
Streptavidin |
1.14 |
SHELXL-97 |
0.125 |
127 |
4 |
13 |
7 |
-0.15 |
127 |
15 |
1 |
-0.67 |
||||||
127 |
15 |
3 |
-0.459 |
||||||
127 |
9 |
5 |
-0.009 |
||||||
1VFY |
Protein Vps27 |
1.15 |
CNS 0.5 |
0.174 |
73 |
1 |
0 |
0 |
0.139 |
2ERL |
Mating Pheromone Er-1 |
1 |
SHELXL-93 |
0.129 |
40 |
1 |
0 |
0 |
1.063 |
2FDN |
Ferredoxin |
0.94 |
SHELXL-96 |
0.0866 |
55 |
1 |
2 |
3 |
-1.026 |
2IGD |
Igg-Binding Protein |
1.1 |
SHELXL-96 |
0.097 |
61 |
1 |
5 |
1 |
-0.629 |
2KNT |
Type Vi Collagen |
1.2 |
SHELXL-93 |
0.1455 |
58 |
1 |
1 |
3 |
0.487 |
2NLR |
Endoglucanase |
1.2 |
SHELXL-96 |
0.111 |
234 |
1 |
24 |
7 |
-0.151 |
2PTH |
Peptidyl-tRNA Hydrolase |
1.2 |
X-PLOR
3.1 |
0.196 |
193 |
1 |
0 |
0 |
-0.675 |
2PVB |
Parvalbumin |
0.91 |
SHELXL-97 |
0.109 |
107 |
1 |
7 |
2 |
-0.405 |
2SN3 |
Scorpion Neurotoxin |
1.2 |
PROLSQ |
0.192 |
65 |
1 |
6 |
2 |
-0.169 |
3LZT |
Lysozyme |
0.92 |
SHELXL-96 |
0.093 |
129 |
1 |
10 |
8 |
-0.355 |
3PYP |
Photoactive Yellow Protein |
0.85 |
SHELXL-97 |
0.1326 |
125 |
1 |
5 |
5 |
-0.281 |
3SIL |
Sialidase |
1.05 |
SHELXL-97 |
0.1163 |
379 |
1 |
53 |
17 |
-0.034 |
4LZT |
Lysozyme |
0.95 |
SHELXL-96 |
0.1144 |
129 |
1 |
7 |
5 |
-0.396 |
4RXN |
Rubredoxin |
1.2 |
|
0.128 |
54 |
1 |
5 |
5 |
0.555 |
5PTI |
Trypsin Inhibitor |
1.0/1.8 |
PROLSQ |
0.2 |
58 |
1 |
0 |
0 |
0.252 |
5RXN |
Rubredoxin |
1.2 |
LEASQUR |
0.115 |
54 |
1 |
0 |
2 |
0.395 |
7A3H |
Endoglucanase |
0.95 |
REFMAC |
0.11 |
303 |
1 |
15 |
15 |
0.36 |
8A3H |
Endoglucanase |
0.97 |
REFMAC |
0.104 |
303 |
1 |
16 |
18 |
0.383 |
8RXN |
Rubredoxin |
1 |
PROLSQ |
0.147 |
52 |
1 |
0 |
0 |
-0.117 |
* The three chains are of
identical conformation and hence they are not considered separately