Table 5.
Solvation energies and CPU time for proteins
| Solvation energy (kcal/mol) |
CPU time (second) |
|||||||
|---|---|---|---|---|---|---|---|---|
| MIBPB+KS | MIBPB | MIBPB+KS | MIBPB | |||||
| h(Å) | 1.0 | 0.5 | 0.25 | 0.25 | 1.0 | 0.5 | 0.25 | 0.25 |
| 1ajj | -1141.9 | -1136.3 | -1136.6 | -1137.2 | 2.3 | 15 | 85 | 273 |
| 2pde | -826.2 | -819.9 | -817.2 | -820.9 | 3.4 | 17 | 108 | 283 |
| 1vii | -914.6 | -901.5 | -902.8 | -901.2 | 2.8 | 15 | 86 | 221 |
| 1cbn | -311.1 | -303.6 | -303.7 | -303.8 | 2.9 | 16 | 102 | 277 |
| 1bor | -858.8 | -854.3 | -857.9 | -853.7 | 4.5 | 24 | 143 | 377 |
| 1bbl | -998.3 | -986.9 | -988.7 | -986.8 | 2.8 | 16 | 106 | 298 |
| 1fca | -1215.5 | -1199.9 | -1200.0 | -1200.1 | 3.5 | 19 | 109 | 292 |
| 1uxc | -1157.6 | -1138.1 | -1139.1 | -1138.7 | 4.2 | 21 | 127 | 347 |
| 1sh1 | -755.7 | -728.0 | -751.4 | -753.3 | 3.3 | 12 | 109 | 300 |
| 1mbg | -1368.4 | -1349.8 | -1352.4 | -1346.1 | 4.8 | 25 | 142 | 378 |
| 1ptq | -893.5 | -871.8 | -872.2 | -873.1 | 3.9 | 22 | 133 | 376 |
| 1vjw | -1250.9 | -1236.9 | -1236.9 | -1237.9 | 4.1 | 26 | 120 | 315 |
| 1fxd | -3309.7 | -3299.7 | -3301.6 | -3300.0 | 4.2 | 31 | 138 | 338 |
| 1r69 | -1111.0 | -1086.5 | -1087.9 | -1089.5 | 5.5 | 32 | 154 | 419 |
| 1hpt | -827.3 | -810.9 | -812.7 | -814.3 | 4.9 | 26 | 141 | 322 |
| 1bpi | -1320.8 | -1298.9 | -1301.3 | -1301.9 | 5.4 | 50 | 164 | 469 |
| 1a2s | -1928.8 | -1913.1 | -1913.6 | -1913.5 | 9.6 | 47 | 242 | 780 |
| 1frd | 2879.8 | -2851.4 | -2856.3 | -2851.9 | 10.8 | 51 | 284 | 707 |
| 1svr | -1741.6 | -1709.8 | -1710.7 | -1711.2 | 11.1 | 57 | 301 | 779 |
| 1neq | -1765.6 | -1729.1 | -1732.7 | -1730.1 | 9.1 | 50 | 289 | 804 |
| 1a63 | -2420.8 | -2371.2 | -2370.2 | -2373.5 | 22 | 113 | 550 | 1376 |
| 2erl | -964.2 | -948.2 | -949.3 | -948.8 | 2.3 | 15 | 101 | 276 |