Table 1.
PDB | Natom | Q | ΔGsolvMS | ΔGsolvvdW(0%Δr) |
---|---|---|---|---|
1a6m | 2435 | 2 | −1893.3 | −2716.3 |
1aho | 967 | −2 | −943.3 | −1299.3 |
1byi | 3383 | −4 | −2408.9 | −3578.1 |
1c75 | 987 | −4 | −1094.4 | −1398.5 |
1c7k | 1929 | −5 | −1672.0 | −2439.7 |
1cex | 2867 | 1 | −1863.7 | −2873.1 |
1eb6 | 2572 | −15 | −4062.5 | −5094.0 |
1ejg | 678 | 0 | −356.4 | −574.7 |
1etl | 145 | 0 | −213.1 | −288.2 |
1exr | 2240 | −25 | −8081.8 | −9253.6 |
1f94 | 982 | 1 | −858.6 | −1206.0 |
1f9y | 2535 | −5 | −2018.1 | −2915.9 |
1g4i | 1842 | −1 | −1659.2 | −2402.0 |
1g66 | 2794 | −2 | −1628.6 | −2945.2 |
1gqv | 2143 | 7 | −1768.6 | −2561.5 |
1hje | 179 | 1 | −221.7 | −275.3 |
1iqz | 1171 | −17 | −4149.4 | −4598.3 |
1iua | 1207 | −1 | −873.0 | −1289.8 |
1j0p | 1597 | 8 | −2242.3 | −2810.4 |
1k4i | 3253 | −6 | −2696.4 | −3888.8 |
1kth | 894 | 0 | −1104.7 | −1454.4 |
1l9l | 1230 | 11 | −2684.4 | −3084.0 |
1m1q | 1265 | −7 | −1945.0 | −2379.0 |
1nls | 3564 | −7 | −2927.5 | −4680.5 |
1nwz | 1912 | −6 | −2015.0 | −2728.9 |
1od3 | 1900 | −3 | −1307.3 | −2026.4 |
1ok0 | 1076 | −5 | −1153.9 | −1546.3 |
1p9g | 529 | 4 | −556.0 | −745.6 |
1pq7 | 3065 | 4 | −1484.9 | −2574.2 |
1r6j | 1230 | 0 | −972.9 | −1337.4 |
1ssx | 2750 | 8 | −1674.4 | −2623.6 |
1tg0 | 1029 | −12 | −2815.9 | −3191.5 |
1tqg | 1660 | −7 | −2373.2 | −2903.5 |
1tt8 | 2676 | 1 | −1655.7 | −2604.9 |
1u2h | 1526 | 4 | −1521.1 | −2036.2 |
1ucs | 997 | 0 | −705.1 | −1021.8 |
1ufy | 1926 | −3 | −1679.0 | −2293.7 |
1unq | 1966 | −3 | −2635.0 | −3410.4 |
1vb0 | 921 | 3 | −794.7 | −1107.3 |
1vbw | 1058 | 8 | −1476.3 | −1805.0 |
1w0n | 1756 | −5 | −1685.6 | −2417.1 |
1wy3 | 560 | 1 | −600.6 | −768.9 |
1x6z | 1741 | 0 | −1511.5 | −2153.4 |
1x8q | 2815 | −1 | −2325.5 | −3550.2 |
1xmk | 1268 | 1 | −1151.3 | −1589.0 |
1yk4 | 770 | −8 | −1578.3 | −1874.2 |
1zzk | 1252 | 1 | −1202.8 | −1591.7 |
2a6z | 3432 | −3 | −2363.5 | −3636.6 |
2bf9 | 560 | −2 | −763.8 | −911.8 |
2chh | 1624 | −3 | −1523.6 | −2128.3 |
2cws | 3400 | −3 | −1936.4 | −3208.1 |
2erl | 573 | −6 | −983.5 | −1167.2 |
2fdn | 731 | −8 | −1410.3 | −1702.1 |
2fwh | 1830 | −6 | −1629.1 | −2251.1 |
3lzt | 1960 | 8 | −1866.9 | −2587.4 |