Time stamp: Wed Aug 18 10:57:25 2021
No. |
PDB |
10 Kcal/Å2 constraint |
3 Kcal/Å2 constraint |
Unconstrained |
|||||||||||
No | Protein |
Atoms |
ΔHf |
RMS |
ΔHf |
RMS |
ΔHf |
RMS |
ΔHf |
||||||
1 |
1-Myoglobin (1M6C) |
6411 |
-51147.6 |
0.074 |
-53933.0 |
0.147 |
-54430.5 |
1.325 |
-56410.1 |
||||||
2 |
6057 |
-49167.3 |
0.060 |
-50914.8 |
0.124 |
-51260.4 |
1.344 |
-52804.8 |
|||||||
3 |
6178 |
-35541.7 |
0.060 |
-37774.8 |
0.113 |
-38056.1 |
1.371 |
-39137.6 |
|||||||
4 |
Acyltransferase (1LXA) |
3946 |
-16935.7 |
0.089 |
-19275.8 |
0.150 |
-19583.9 |
1.237 |
-20335.6 |
||||||
5 |
Alpha Tropomyosin (2B9C) |
5483 |
-38989.5 |
0.105 |
-45406.4 |
0.179 |
-45997.0 |
1.990 |
-48345.1 |
||||||
6 |
Aromatase (3EQM) |
7637 |
-34724.0 |
0.059 |
-37420.1 |
0.115 |
-37773.9 |
1.355 |
-39207.4 |
||||||
7 |
Azurin ISO-2 (1CUO) |
2146 |
-14294.0 |
0.059 |
-15020.9 |
0.117 |
-15129.1 |
1.246 |
-15588.5 |
||||||
8 |
Bacteriochlorophyll (4BCL) |
6729 |
-31955.7 |
0.091 |
-36641.9 |
0.152 |
-37173.2 |
1.279 |
-38430.0 |
||||||
9 |
Bacteriorhodopsin (1AP9) |
3579 |
-14888.9 |
0.067 |
-16116.0 |
0.132 |
-16344.9 |
2.039 |
-17277.4 |
||||||
10 |
3667 |
-13652.9 |
0.082 |
-15196.0 |
0.150 |
-15495.1 |
1.618 |
-16537.1 |
|||||||
11 |
Bacteriorhodopsin (1BRX) |
3352 |
-14779.8 |
0.026 |
-14883.6 |
0.058 |
-14929.2 |
1.017 |
-15196.8 |
||||||
12 |
Bacteriorhodopsin (1C3W) |
3619 |
-15549.5 |
0.069 |
-16927.8 |
0.115 |
-17086.8 |
0.913 |
-17405.0 |
||||||
13 |
Bacteriorhodopsin (2AT9) |
3557 |
-12769.5 |
0.091 |
-14599.8 |
0.176 |
-15008.9 |
1.698 |
-16177.3 |
||||||
14 |
Barnase (1RNB) |
2066 |
-13834.5 |
0.096 |
-15258.8 |
0.170 |
-15462.8 |
1.212 |
-16053.6 |
||||||
15 |
Bovine lactoferrin (1SDX) |
6079 |
-41094.0 |
0.071 |
-43604.4 |
0.135 |
-44011.0 |
1.692 |
-45800.5 |
||||||
16 |
Calmodulin (2F3Y) |
3599 |
-34649.5 |
0.061 |
-35699.6 |
0.130 |
-35923.5 |
1.590 |
-37062.4 |
||||||
17 |
Carbonic anhydrase (1RZE) |
4731 |
-31406.4 |
0.069 |
-33613.6 |
0.134 |
-33924.6 |
1.259 |
-34988.4 |
||||||
18 |
Cardioactive peptide (1V46)(Model 1) |
121 |
-331.7 |
0.103 |
-412.7 |
0.176 |
-426.4 |
2.291 |
-502.9 |
||||||
19 |
Cardioactive peptide (1V46)(Model 10) |
123 |
-326.7 |
0.100 |
-414.6 |
0.174 |
-427.9 |
1.998 |
-484.1 |
||||||
20 |
Cardioactive peptide (1V46)(Model 2) |
123 |
-279.1 |
0.103 |
-410.8 |
0.174 |
-423.6 |
1.750 |
-481.4 |
||||||
21 |
Cardioactive peptide (1V46)(Model 3) |
123 |
-321.3 |
0.102 |
-410.5 |
0.173 |
-424.1 |
1.779 |
-495.7 |
||||||
22 |
Cardioactive peptide (1V46)(Model 4) |
123 |
-317.5 |
0.104 |
-407.5 |
0.180 |
-422.4 |
1.879 |
-482.0 |
||||||
23 |
Cardioactive peptide (1V46)(Model 5) |
123 |
-319.1 |
0.103 |
-408.5 |
0.175 |
-422.0 |
1.738 |
-478.8 |
||||||
24 |
Cardioactive peptide (1V46)(Model 6) |
123 |
-324.4 |
0.103 |
-413.2 |
0.177 |
-426.4 |
1.819 |
-481.7 |
||||||
25 |
Cardioactive peptide (1V46)(Model 7) |
123 |
-318.0 |
0.103 |
-407.0 |
0.176 |
-420.7 |
1.463 |
-482.4 |
||||||
26 |
Cardioactive peptide (1V46)(Model 8) |
123 |
-325.6 |
0.100 |
-412.3 |
0.176 |
-426.1 |
2.208 |
-482.1 |
||||||
27 |
Cardioactive peptide (1V46)(Model 9) |
123 |
-320.7 |
0.100 |
-407.9 |
0.168 |
-420.6 |
2.421 |
-491.4 |
||||||
28 |
3968 |
-25602.5 |
0.054 |
-26774.1 |
0.102 |
-26923.3 |
1.105 |
-27548.9 |
|||||||
29 |
4575 |
-38457.7 |
0.076 |
-40397.0 |
0.152 |
-40745.7 |
1.327 |
-42002.4 |
|||||||
30 |
7117 |
-40744.9 |
0.060 |
-43264.9 |
0.115 |
-43609.6 |
1.408 |
-45070.0 |
|||||||
31 |
Coiled Coil (2V66) |
7745 |
-45250.0 |
0.071 |
-49040.3 |
0.129 |
-49495.0 |
1.611 |
-51240.8 |
||||||
32 |
Collagen-like peptide (1A3J) |
371 |
-3351.1 |
0.129 |
-3453.7 |
0.175 |
-3480.0 |
1.397 |
-3631.2 |
||||||
33 |
Collagenase (1NQJ) |
4537 |
-41009.7 |
0.123 |
-42841.2 |
0.143 |
-43211.0 |
1.444 |
-44741.7 |
||||||
34 |
Crambin (1CBN) |
641 |
-3293.2 |
0.050 |
-3496.2 |
0.087 |
-3511.6 |
0.833 |
-3577.0 |
||||||
35 |
Crambin (1EJG) |
637 |
-3119.7 |
0.058 |
-3360.6 |
0.091 |
-3377.9 |
1.011 |
-3453.6 |
||||||
36 |
Crystallin (1AMM) |
4020 |
-36742.3 |
0.068 |
-38226.5 |
0.140 |
-38521.4 |
1.245 |
-39663.6 |
||||||
37 |
Cytochrome-C (1CPQ) |
2245 |
-16560.3 |
0.065 |
-17457.1 |
0.126 |
-17594.0 |
1.225 |
-18080.2 |
||||||
38 |
Cytochrome-P450 (1DT6) |
7308 |
-30406.5 |
0.089 |
-33930.0 |
0.151 |
-34596.1 |
2.236 |
-36687.5 |
||||||
39 |
DMSO Reductase (1DMS) |
12839 |
-79327.3 |
0.058 |
-83707.6 |
0.110 |
-84263.6 |
1.105 |
-86312.6 |
||||||
40 |
Flavodoxin (1RCF) |
3550 |
-31947.5 |
0.068 |
-33596.4 |
0.135 |
-33832.7 |
1.308 |
-34890.3 |
||||||
41 |
3783 |
-22179.1 |
0.069 |
-23836.2 |
0.130 |
-24068.3 |
1.204 |
-24782.3 |
|||||||
42 |
8112 |
-52131.3 |
0.067 |
-55379.5 |
0.134 |
-55913.5 |
1.430 |
-58135.4 |
|||||||
43 |
Hen egg white lysozyme (193L) |
2388 |
-17418.5 |
0.059 |
-18117.9 |
0.118 |
-18238.4 |
1.446 |
-18811.9 |
||||||
44 |
Hen egg white lysozyme (1IEE) |
2590 |
-22023.1 |
0.067 |
-23015.0 |
0.134 |
-23180.0 |
1.368 |
-23957.2 |
||||||
45 |
5717 |
-45694.6 |
0.058 |
-47216.9 |
0.118 |
-47495.7 |
1.276 |
-48828.5 |
|||||||
46 |
Human Cathepsin G (1T32) |
4507 |
-31623.7 |
0.077 |
-33892.6 |
0.146 |
-34244.2 |
1.500 |
-35647.1 |
||||||
47 |
Human MTH1 (3ZR0) |
5616 |
-36240.9 |
0.068 |
-39020.1 |
0.124 |
-39326.9 |
1.472 |
-40508.4 |
||||||
48 |
Hydrophobin HFBII (2B97) |
2728 |
-24577.6 |
0.062 |
-25627.6 |
0.121 |
-25769.7 |
1.204 |
-26496.4 |
||||||
49 |
14566 |
-72056.2 |
0.066 |
-77666.6 |
0.124 |
-78476.8 |
1.378 |
-81322.2 |
|||||||
50 |
3990 |
-18566.5 |
0.054 |
-19983.2 |
0.099 |
-20117.2 |
1.162 |
-20567.9 |
|||||||
51 |
3333 |
-28881.3 |
0.063 |
-30001.1 |
0.152 |
-30226.2 |
1.193 |
-30963.8 |
|||||||
52 |
Mouse sulfotransferase sult1d1 (2ZPT) |
6211 |
-51033.7 |
0.059 |
-53148.3 |
0.119 |
-53488.9 |
1.036 |
-54808.6 |
||||||
53 |
Outer surface protein (2G8C) |
4934 |
-45696.2 |
0.059 |
-47256.5 |
0.117 |
-47503.9 |
1.545 |
-48870.4 |
||||||
54 |
Oxalate decarboxylase (1UW8) |
7135 |
-53117.7 |
0.058 |
-55384.9 |
0.113 |
-55695.8 |
1.434 |
-57147.1 |
||||||
55 |
Oxy-Hemoglobin (1GZX) |
9687 |
-47640.3 |
0.092 |
-54502.2 |
0.162 |
-55392.2 |
1.398 |
-57568.4 |
||||||
56 |
Pancreatic trypsin inhibitor (1G6X) |
1455 |
-15797.1 |
0.059 |
-16281.3 |
0.112 |
-16341.3 |
1.024 |
-16637.5 |
||||||
57 |
Papain (1PE6) |
3917 |
-26346.8 |
0.120 |
-28052.7 |
0.150 |
-28364.6 |
1.418 |
-29474.9 |
||||||
58 |
Papain (9PAP) |
3996 |
-27184.6 |
0.082 |
-29630.5 |
0.152 |
-29966.1 |
1.394 |
-31065.0 |
||||||
59 |
Pheromone binding protein (1DQE) |
2449 |
-15955.7 |
0.075 |
-17212.4 |
0.132 |
-17364.1 |
1.168 |
-17964.5 |
||||||
60 |
Potassium channel (1JVM) |
5749 |
-22873.2 |
0.077 |
-25278.2 |
0.141 |
-25695.0 |
1.321 |
-26784.3 |
||||||
61 |
QacR-Diamidine complexes (1RKW) |
12783 |
-65385.6 |
0.076 |
-71378.3 |
0.144 |
-72329.1 |
1.602 |
-75558.8 |
||||||
62 |
QacR-Diamidine complexes (1RPW) |
6326 |
-30203.4 |
0.076 |
-33232.9 |
0.141 |
-33686.0 |
1.433 |
-35164.0 |
||||||
63 |
Ranasmurfin (2VH3) |
4080 |
-29334.9 |
0.076 |
-30855.4 |
0.125 |
-31043.8 |
1.266 |
-31863.9 |
||||||
64 |
Rho (1A62) |
2328 |
-16441.8 |
0.064 |
-17257.9 |
0.122 |
-17384.5 |
1.295 |
-17923.7 |
||||||
65 |
Ricin A plus B (2AAI) |
8904 |
-45331.0 |
0.090 |
-51512.6 |
0.161 |
-52325.8 |
1.715 |
-54881.0 |
||||||
66 |
544 |
-3707.9 |
0.000 |
-3707.9 |
0.000 |
-3707.9 |
0.000 |
-3707.9 |
|||||||
67 |
Spectrin (2SPC) |
3890 |
-25625.4 |
0.085 |
-27699.7 |
0.159 |
-28051.8 |
1.735 |
-29228.4 |
||||||
68 |
Stage V sporulation protein T (2W1R) |
2050 |
-15598.0 |
0.056 |
-16155.3 |
0.112 |
-16255.6 |
1.186 |
-16697.1 |
||||||
69 |
Tetrameric beta-beta-alpha mini-protein (1SN9) |
1822 |
-12970.5 |
0.080 |
-14237.0 |
0.149 |
-14377.7 |
1.546 |
-14940.5 |
||||||
70 |
Thermal Hysteresis Protein Isoform YL-1 (1EZG) |
2064 |
-12748.2 |
0.057 |
-13462.2 |
0.107 |
-13537.4 |
1.279 |
-13867.2 |
||||||
71 |
Triose Phosphate Isomerase (1WYI) |
8876 |
-62953.4 |
0.077 |
-66383.6 |
0.152 |
-67161.3 |
1.350 |
-69775.9 |
||||||
72 |
Triose Phosphate Isomerase (2YPI) |
7666 |
-30185.0 |
0.119 |
-39281.3 |
0.214 |
-40545.8 |
1.711 |
-43108.7 |
||||||
73 |
Turkey egg white lysozyme (135L) |
2283 |
-15498.0 |
0.068 |
-16534.7 |
0.130 |
-16675.8 |
1.087 |
-17185.4 |
||||||
74 |
4239 |
-19153.0 |
0.075 |
-20929.2 |
0.138 |
-21218.3 |
1.170 |
-21944.7 |
|||||||
75 |
Zinc Finger (2J7J) |
1765 |
-13751.0 |
0.054 |
-14297.8 |
0.111 |
-14375.8 |
1.467 |
-14793.7 |
||||||
76 |
Zinc Finger (3ZNF) |
494 |
-1633.5 |
0.078 |
-2005.6 |
0.137 |
-2037.7 |
1.561 |
-2153.9 |
||||||
77 |
2279 |
-17234.6 |
0.064 |
-18079.9 |
0.119 |
-18194.4 |
1.331 |
-18737.5 |
|||||||
78 |
Zinc-bundle (1EF4) |
890 |
-3965.8 |
0.070 |
-4300.7 |
0.134 |
-4360.0 |
1.641 |
-4609.3 |
||||||
Average RMS Error: | 0.075 |
0.137 |
1.267 |