Table 2.
Dihedral Angle Recovery Rates for Side-Chain Prediction on 136 Structures Using Rotamer Libraries L1—L6a
|
χ1–4 recovery rate (%) |
overall side-chain RMSD (Å) |
||||||
|---|---|---|---|---|---|---|---|
| method | library | all | core | surface | all | core | surface |
| CISRR | L1 | 61.8 ± 0.0 | 81.4 ± 0.0 | 46.4 ± 0.0 | 1.68 ± 0.00 | 0.91 ± 0.00 | 2.15 ± 0.00 |
| RASP | L1 | 61.1 ± 0.0 | 78.7 ± 0.0 | 47.2 ± 0.0 | 1.72 ± 0.00 | 1.01 ± 0.01 | 2.16 ± 0.00 |
| SCWRL4 | L1 | 62.3 ± 0.0 | 81.0 ± 0.0 | 47.3 ± 0.0 | 1.70 ± 0.00 | 0.95 ± 0.00 | 2.18 ± 0.00 |
| EvoEF2 | L1 | 60.0 ± 0.1 | 79.1 ± 0.3 | 44.2 ± 0.3 | 1.66 ± 0.01 | 0.97 ± 0.01 | 2.12 ± 0.01 |
| EvoEF2 | L2 | 59.3 ± 0.1 | 77.8 ± 0.3 | 44.0 ± 0.3 | 1.69 ± 0.01 | 1.10 ± 0.02 | 2.13 ± 0.02 |
| EvoEF2 | L3 | 58.5 ± 0.2 | 75.9 ± 0.2 | 43.9 ± 0.3 | 1.76 ± 0.01 | 1.27 ± 0.01 | 2.14 ± 0.01 |
| EvoEF2 | L4 | 34.4 ± 0.4 | 56.0 ± 0.7 | 18.1 ± 0.4 | 1.92 ± 0.02 | 1.14 ± 0.03 | 2.44 ± 0.01 |
| EvoEF2 | L5 | 37.8 ± 0.3 | 60.4 ± 0.7 | 20.2 ± 0.3 | 1.82 ± 0.01 | 1.01 ± 0.01 | 2.37 ± 0.01 |
| EvoEF2 | L6 | 36.7 ± 0.3 | 59.2 ± 0.8 | 19.5 ± 0.5 | 1.84 ± 0.01 | 1.01 ± 0.02 | 2.39 ± 0.01 |
a
The best performance in each column is shown in bold. Each program was run five times using any of the six rotamer libraries, and the average and standard deviation are reported.