Table 2 Decoy recognition based on total structure hydration energy estimates
# | Structure ID | Hydration Shell Energy Average, kT | Native to Decoy ΔG, kT\Z-Score | Enrichment, % | |
|---|---|---|---|---|---|
| Â | Â | Native | Decoy | Â | Â |
1 | 5RXN | -7.22 | -6.13 | 1.09 | 100 |
2 | 1REI | -15.21 | -11.98 | 3.23 | 100 |
3 | 2CRO | -6.42 | -5.57 | 0.85 | 100 |
4 | 2SSI | -8.77 | -7.45 | 1.32 | 100 |
5 | 2PAZ | -7.34 | -5.59 | 1.75 | 100 |
6 | 1LH1 | -13.82 | -9.63 | 4.59 | 100 |
7 | 2ILB | -6.83 | -5.92 | 0.91 | 100 |
8 | 5PAD | -12.95 | -11.41 | 1.54 | 100 |
9 | 1P2P | -13.24 | -10.51 | 2.73 | 100 |
10 | 1RHD | -11.98 | -10.62 | 1.36 | 100 |
11 | 2CI2 | -8.65 | -7.46 | 1.19 | 100 |
12 | 2B5C | -7.36 | -5.68 | 1.68 | 100 |
13 | 2TMN | -10.160 | -9.10 | 1.06 | 100 |
14 | 2CYP | -12.208 | -9.33 | 2.88 | 100 |
15 | 2bp2 | -9.635 | -7.90 | 1.73 | 100 |
16 | 1cbh | -10.17 | -8.65 | 1.52 | 100 |
17 | 1fdx | -8.12 | -7.09 | 1.03 | 100 |
18 | 1hip | -6.14 | -5.40 | 0.74 | 100 |
19 | 1ppt | -11.01 | -6.98 | 4.03 | 100 |
20 | 1rn3 | -12.09 | -10.50 | 1.59 | 100 |
21 | 1sn3 | -8.89 | -7.38 | 1.51 | 100 |
22 | 2cdv | -10.27 | -8.84 | 1.43 | 100 |
23 | 2ts1 | -11.77 | -9.75 | 2.02 | 100 |
24 | 1res | -11.30 | -9.63 | 5.10 | 100 |
25 | 1ptq | -10.21 | -9.70 | 0.68 | 74 |
26 | 1uxd | -10.04 | -8.27 | 5.08 | 100 |
27 | 2pdd | -8.68 | -8.73 | 0.04 | 51 |
28 | 1uba | -9.01 | -8.28 | 1.24 | 88 |
29 | 1gab | -7.71 | -5.98 | 3.25 | 100 |
30 | 1vif | -10.05 | -8.70 | 2.37 | 98.5 |
31 | 1bq9 | -10.22 | -8.01 | 3.55 | 100 |
32 | 5pti | -11.12 | -8.31 | 4.70 | 100 |
33 | 1aa3 | -9.94 | -7.76 | 3.78 | 100 |
34 | 1bw6 | -7.962 | -7.564 | 0.80 | 79 |
35 | 1orc | -8.944 | -9.693 | -1.04 | 15 |
36 | 1am3 | -10.857 | -9.126 | 3.67 | 100 |
37 | 1pgx | -10.211 | -8.262 | 3.40 | 100 |
38 | 1tif | -10.283 | -8.416 | 3.33 | 100 |
39 | 1msi | -12.712 | -10.401 | 3.69 | 100 |
40 | 2ptl | -10.982 | -7.708 | 6.89 | 100 |
41 | 1r69 | -10.316 | -7.670 | 4.69 | 100 |
42 | 1tuc | -10.564 | -8.614 | 2.28 | 100 |
43 | 1dol | -10.890 | -8.611 | 3.68 | 100 |
44 | 1utg | -7.998 | -7.792 | 0.42 | 67 |
45 | 1csp | -11.524 | -8.227 | 4.30 | 100 |
46 | 1a32 | -9.844 | -10.077 | -0.50 | 28 |
47 | 2ezh | -11.496 | -9.431 | 3.74 | 100 |
48 | 1nre | -8.198 | -7.288 | 1.92 | 97 |
49 | 1sro | -11.319 | -9.443 | 2.85 | 99.5 |
50 | 2fow | -9.442 | -7.466 | 5.24 | 100 |
51 | 1ail | -10.957 | -10.734 | 0.38 | 63 |
52 | 1ctf | -8.758 | -7.123 | 3.30 | 100 |
53 | 1lfb | -9.387 | -7.908 | 3.18 | 100 |
54 | 1nkl | -11.289 | -10.048 | 2.21 | 99 |
55 | 1pou | -11.890 | -9.495 | 4.40 | 100 |
56 | 1mzm | -12.126 | -9.837 | 4.93 | 100 |
57 | 1afi | -10.691 | -9.655 | 2.28 | 99.5 |
58 | 5icb | -9.006 | -6.895 | 5.80 | 100 |
59 | 1kjs | -10.521 | -9.063 | 2.90 | 100 |
60 | 1hyp | -14.662 | -12.513 | 2.63 | 98.5 |
61 | 1cc5 | -10.227 | -9.895 | 0.64 | 77 |
62 | 1vcc | -13.279 | -11.533 | 2.71 | 100 |
63 | 2fxb | -11.126 | -8.699 | 4.37 | 100 |
64 | 1cei | -9.810 | -9.589 | 0.43 | 65 |