Table 4.
Dihedral Angle Recovery Rates and Overall RMSDs for Side-Chain Prediction with the Rotamer Probability Term (EROT) Disabled on 136 Structures Using Rotamer Libraries L1—L3a
|
χ1–4 recovery rate (%) |
overall side-chain RMSD (Å) |
|||||
|---|---|---|---|---|---|---|
| library | all | core | surface | all | core | surface |
| L1 | 47.7 ± 0.2 | 70.3 ± 0.2 | 29.4 ± 0.4 | 1.95 ± 0.01 | 1.08 ± 0.01 | 2.53 ± 0.01 |
| L2 | 50.2 ± 0.1 | 71.3 ± 0.2 | 32.8 ± 0.4 | 1.80 ± 0.01 | 1.16 ± 0.01 | 2.27 ± 0.01 |
| L3 | 52.7 ± 0.1 | 72.3 ± 0.3 | 36.2 ± 0.2 | 1.81 ± 0.01 | 1.28 ± 0.01 | 2.21 ± 0.01 |
a
The best performance in each column is shown in bold. Each program was run five times using each of the three BBDRLs (L1–L3), and the average and standard deviation are reported.