Time stamp: Thu Aug 19 08:14:57 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 |
-58532.5 |
0.077 |
-61347.2 |
0.147 |
-61898.7 |
1.382 |
-64422.5 |
||||||
2 |
6057 |
-56170.3 |
0.066 |
-57867.9 |
0.121 |
-58227.9 |
1.380 |
-60125.8 |
|||||||
3 |
6178 |
-40087.9 |
0.058 |
-41920.8 |
0.108 |
-42182.5 |
1.579 |
-43549.9 |
|||||||
4 |
Acyltransferase (1LXA) |
3946 |
-19613.3 |
0.079 |
-21429.0 |
0.137 |
-21690.2 |
1.421 |
-22530.3 |
||||||
5 |
Alpha Tropomyosin (2B9C) |
5483 |
-44980.9 |
0.099 |
-50860.5 |
0.171 |
-51441.4 |
2.060 |
-54212.1 |
||||||
6 |
Aromatase (3EQM) |
7637 |
-39803.8 |
0.053 |
-41899.7 |
0.102 |
-42194.4 |
1.800 |
-44059.3 |
||||||
7 |
Azurin ISO-2 (1CUO) |
2146 |
-16123.0 |
0.053 |
-16727.0 |
0.104 |
-16823.0 |
1.301 |
-17369.7 |
||||||
8 |
Bacteriochlorophyll (4BCL) |
6729 |
-36494.3 |
0.085 |
-40649.0 |
0.140 |
-41103.3 |
1.384 |
-42508.7 |
||||||
9 |
Bacteriorhodopsin (1AP9) |
3579 |
-17422.3 |
0.058 |
-18333.9 |
0.118 |
-18525.4 |
2.019 |
-19504.6 |
||||||
10 |
3667 |
-16234.2 |
0.067 |
-17371.4 |
0.128 |
-17590.2 |
1.571 |
-18691.5 |
|||||||
11 |
Bacteriorhodopsin (1BRX) |
3352 |
-16559.9 |
0.033 |
-16803.0 |
0.064 |
-16853.1 |
1.228 |
-17198.6 |
||||||
12 |
Bacteriorhodopsin (1C3W) |
3619 |
-18192.9 |
0.059 |
-19219.0 |
0.103 |
-19348.0 |
1.094 |
-19841.3 |
||||||
13 |
Bacteriorhodopsin (2AT9) |
3557 |
-15299.0 |
0.079 |
-16679.7 |
0.158 |
-17023.1 |
1.902 |
-18295.8 |
||||||
14 |
Barnase (1RNB) |
2066 |
-15678.5 |
0.094 |
-17031.3 |
0.164 |
-17234.3 |
1.402 |
-17927.5 |
||||||
15 |
Bovine lactoferrin (1SDX) |
6079 |
-46371.8 |
0.067 |
-48454.3 |
0.126 |
-48827.8 |
1.924 |
-50916.7 |
||||||
16 |
Calmodulin (2F3Y) |
3599 |
-39500.8 |
0.066 |
-40505.5 |
0.135 |
-40798.9 |
1.464 |
-42070.5 |
||||||
17 |
Carbonic anhydrase (1RZE) |
4731 |
-35640.5 |
0.066 |
-37676.9 |
0.128 |
-37986.2 |
1.238 |
-39254.5 |
||||||
18 |
Cardioactive peptide (1V46)(Model 1) |
121 |
-375.8 |
0.089 |
-434.9 |
0.163 |
-447.8 |
2.275 |
-532.1 |
||||||
19 |
Cardioactive peptide (1V46)(Model 10) |
123 |
-373.7 |
0.084 |
-439.1 |
0.146 |
-449.2 |
1.139 |
-493.6 |
||||||
20 |
Cardioactive peptide (1V46)(Model 2) |
123 |
-333.1 |
0.086 |
-435.9 |
0.149 |
-446.3 |
1.064 |
-493.5 |
||||||
21 |
Cardioactive peptide (1V46)(Model 3) |
123 |
-369.4 |
0.086 |
-435.9 |
0.152 |
-446.6 |
1.305 |
-493.6 |
||||||
22 |
Cardioactive peptide (1V46)(Model 4) |
123 |
-366.4 |
0.087 |
-433.5 |
0.154 |
-444.7 |
1.103 |
-489.0 |
||||||
23 |
Cardioactive peptide (1V46)(Model 5) |
123 |
-367.5 |
0.087 |
-433.5 |
0.155 |
-445.3 |
1.143 |
-494.4 |
||||||
24 |
Cardioactive peptide (1V46)(Model 6) |
123 |
-371.9 |
0.087 |
-437.7 |
0.150 |
-448.4 |
1.049 |
-493.0 |
||||||
25 |
Cardioactive peptide (1V46)(Model 7) |
123 |
-366.8 |
0.086 |
-432.3 |
0.151 |
-443.5 |
1.069 |
-491.9 |
||||||
26 |
Cardioactive peptide (1V46)(Model 8) |
123 |
-373.2 |
0.084 |
-437.9 |
0.152 |
-448.7 |
2.087 |
-501.4 |
||||||
27 |
Cardioactive peptide (1V46)(Model 9) |
123 |
-369.3 |
0.084 |
-433.2 |
0.149 |
-443.4 |
2.008 |
-504.8 |
||||||
28 |
3968 |
-28969.2 |
0.051 |
-29898.4 |
0.098 |
-30056.5 |
1.130 |
-30783.6 |
|||||||
29 |
4575 |
-43617.6 |
0.083 |
-45777.2 |
0.152 |
-46178.6 |
1.294 |
-47560.1 |
|||||||
30 |
7117 |
-46577.6 |
0.055 |
-48615.5 |
0.104 |
-48922.9 |
1.529 |
-50658.2 |
|||||||
31 |
Coiled Coil (2V66) |
7745 |
-50655.3 |
0.067 |
-53965.8 |
0.126 |
-54432.1 |
1.499 |
-56436.5 |
||||||
32 |
Collagen-like peptide (1A3J) |
371 |
-3801.8 |
0.060 |
-3900.3 |
0.133 |
-3933.7 |
0.990 |
-4059.3 |
||||||
33 |
Collagenase (1NQJ) |
4537 |
-46529.9 |
0.075 |
-48352.5 |
0.144 |
-48733.5 |
1.159 |
-50312.0 |
||||||
34 |
Crambin (1CBN) |
641 |
-3585.2 |
0.043 |
-3748.5 |
0.079 |
-3761.8 |
0.717 |
-3823.5 |
||||||
35 |
Crambin (1EJG) |
637 |
-3411.1 |
0.050 |
-3609.5 |
0.082 |
-3622.3 |
0.678 |
-3686.5 |
||||||
36 |
Crystallin (1AMM) |
4020 |
-41968.5 |
0.074 |
-43669.1 |
0.143 |
-44014.4 |
1.162 |
-45351.2 |
||||||
37 |
Cytochrome-C (1CPQ) |
2245 |
-18822.6 |
0.058 |
-19549.6 |
0.126 |
-19679.7 |
1.294 |
-20279.4 |
||||||
38 |
Cytochrome-P450 (1DT6) |
7308 |
-35026.3 |
0.070 |
-37977.1 |
0.135 |
-38470.1 |
1.655 |
-40554.2 |
||||||
39 |
DMSO Reductase (1DMS) |
12839 |
-89946.1 |
0.054 |
-93454.6 |
0.103 |
-94004.2 |
1.302 |
-96594.3 |
||||||
40 |
Flavodoxin (1RCF) |
3550 |
-36154.9 |
0.071 |
-37784.4 |
0.139 |
-38062.4 |
1.323 |
-39394.3 |
||||||
41 |
3783 |
-25262.7 |
0.062 |
-26564.5 |
0.116 |
-26760.8 |
1.183 |
-27582.3 |
|||||||
42 |
8112 |
-59380.9 |
0.064 |
-62061.0 |
0.131 |
-62557.5 |
1.371 |
-64966.9 |
|||||||
43 |
Hen egg white lysozyme (193L) |
2388 |
-19857.9 |
0.058 |
-20425.8 |
0.113 |
-20551.3 |
1.291 |
-21248.3 |
||||||
44 |
Hen egg white lysozyme (1IEE) |
2590 |
-25194.4 |
0.068 |
-26121.4 |
0.133 |
-26311.8 |
1.195 |
-27104.8 |
||||||
45 |
5717 |
-52251.4 |
0.059 |
-53593.0 |
0.113 |
-53904.6 |
1.304 |
-55365.8 |
|||||||
46 |
Human Cathepsin G (1T32) |
4507 |
-36659.8 |
0.074 |
-38612.2 |
0.141 |
-38951.9 |
1.415 |
-40396.0 |
||||||
47 |
Human MTH1 (3ZR0) |
5616 |
-41028.9 |
0.066 |
-43539.8 |
0.119 |
-43832.6 |
1.361 |
-45036.0 |
||||||
48 |
Hydrophobin HFBII (2B97) |
2728 |
-28055.2 |
0.072 |
-29250.3 |
0.134 |
-29445.3 |
1.075 |
-30198.5 |
||||||
49 |
14566 |
-81814.8 |
0.057 |
-85859.5 |
0.111 |
-86539.8 |
1.506 |
-89641.7 |
|||||||
50 |
3990 |
-21086.0 |
0.049 |
-22136.9 |
0.089 |
-22254.9 |
1.189 |
-22785.5 |
|||||||
51 |
3333 |
-33013.7 |
0.084 |
-33975.8 |
0.136 |
-34278.1 |
1.198 |
-35163.3 |
|||||||
52 |
Mouse sulfotransferase sult1d1 (2ZPT) |
6211 |
-58340.3 |
0.060 |
-60363.0 |
0.112 |
-60692.7 |
1.029 |
-62118.8 |
||||||
53 |
Outer surface protein (2G8C) |
4934 |
-51710.4 |
0.063 |
-53238.5 |
0.120 |
-53547.9 |
1.620 |
-54894.9 |
||||||
54 |
Oxalate decarboxylase (1UW8) |
7135 |
-60003.5 |
0.062 |
-62226.8 |
0.118 |
-62596.3 |
1.390 |
-64107.3 |
||||||
55 |
Oxy-Hemoglobin (1GZX) |
9687 |
-55008.8 |
0.088 |
-61480.7 |
0.158 |
-62368.4 |
1.794 |
-65067.1 |
||||||
56 |
Pancreatic trypsin inhibitor (1G6X) |
1455 |
-17891.9 |
0.073 |
-18439.9 |
0.132 |
-18531.7 |
0.904 |
-18840.6 |
||||||
57 |
Papain (1PE6) |
3917 |
-30028.6 |
0.073 |
-31584.3 |
0.136 |
-31875.0 |
1.468 |
-33236.3 |
||||||
58 |
Papain (9PAP) |
3996 |
-30943.5 |
0.081 |
-33340.2 |
0.147 |
-33657.6 |
1.410 |
-35047.4 |
||||||
59 |
Pheromone binding protein (1DQE) |
2448 |
-18259.6 |
0.074 |
-19356.1 |
0.131 |
-19513.9 |
1.171 |
-20097.7 |
||||||
60 |
Potassium channel (1JVM) |
5749 |
-26919.8 |
0.066 |
-28655.6 |
0.125 |
-28993.9 |
1.751 |
-30231.8 |
||||||
61 |
QacR-Diamidine complexes (1RKW) |
12783 |
-74474.0 |
0.066 |
-79124.2 |
0.129 |
-79937.2 |
1.601 |
-83406.8 |
||||||
62 |
QacR-Diamidine complexes (1RPW) |
6326 |
-34576.2 |
0.065 |
-36907.8 |
0.122 |
-37248.0 |
1.883 |
-39045.2 |
||||||
63 |
Ranasmurfin (2VH3) |
4080 |
-33136.1 |
0.057 |
-34436.8 |
0.111 |
-34632.6 |
1.181 |
-35569.8 |
||||||
64 |
Rho (1A62) |
2328 |
-18810.3 |
0.061 |
-19458.2 |
0.128 |
-19570.9 |
1.260 |
-20193.2 |
||||||
65 |
Ricin A plus B (2AAI) |
8904 |
-51933.4 |
0.085 |
-57113.6 |
0.153 |
-57890.9 |
1.884 |
-60722.8 |
||||||
66 |
544 |
-3763.6 |
0.002 |
-3763.6 |
0.000 |
-3763.6 |
0.002 |
-3763.6 |
|||||||
67 |
Spectrin (2SPC) |
3890 |
-29088.0 |
0.081 |
-30908.7 |
0.148 |
-31233.9 |
1.309 |
-32409.7 |
||||||
68 |
Stage V sporulation protein T (2W1R) |
2050 |
-17477.9 |
0.058 |
-17953.4 |
0.116 |
-18067.7 |
1.072 |
-18528.2 |
||||||
69 |
Tetrameric beta-beta-alpha mini-protein (1SN9) |
1822 |
-14888.9 |
0.083 |
-16106.4 |
0.157 |
-16278.5 |
1.439 |
-16918.5 |
||||||
70 |
Thermal Hysteresis Protein Isoform YL-1 (1EZG) |
2064 |
-13680.4 |
0.050 |
-14221.5 |
0.091 |
-14279.6 |
1.357 |
-14703.1 |
||||||
71 |
Triose Phosphate Isomerase (1WYI) |
8876 |
-72474.5 |
0.070 |
-75182.4 |
0.139 |
-75861.0 |
1.281 |
-78732.9 |
||||||
72 |
Triose Phosphate Isomerase (2YPI) |
7665 |
-35423.9 |
0.113 |
-43965.6 |
0.199 |
-45052.2 |
1.731 |
-47787.7 |
||||||
73 |
Turkey egg white lysozyme (135L) |
2283 |
-17743.1 |
0.064 |
-18593.9 |
0.121 |
-18724.2 |
1.320 |
-19410.2 |
||||||
74 |
4239 |
-21658.9 |
0.068 |
-23075.6 |
0.128 |
-23343.6 |
1.339 |
-24175.4 |
|||||||
75 |
Zinc Finger (2J7J) |
1765 |
-15584.3 |
0.054 |
-16059.4 |
0.109 |
-16148.3 |
1.407 |
-16593.3 |
||||||
76 |
Zinc Finger (3ZNF) |
494 |
-1884.5 |
0.067 |
-2183.6 |
0.110 |
-2205.6 |
1.545 |
-2322.2 |
||||||
77 |
2279 |
-19287.3 |
0.063 |
-20034.7 |
0.122 |
-20177.8 |
1.114 |
-20798.3 |
|||||||
78 |
Zinc-bundle (1EF4) |
890 |
-4471.7 |
0.057 |
-4692.3 |
0.110 |
-4729.7 |
1.680 |
-4950.6 |
||||||
Average RMS Error: | 0.069 |
0.127 |
1.218 |