Table 2.
Cα RMSD from experimental structures and radius of gyration.
| Model | Trp-Cage | SH3 | Protein G | |
|---|---|---|---|---|
| Average Cα RMSD (Å) | AA/CG | 2.66 (0.13) | 3.71 (0.41) | 2.42 (0.16) |
| CG | 4.28 (0.13) | 4.44 (0.10) | 3.29 (0.07) | |
| AA/GBMV | 1.66 (0.004) | 1.01 (0.05) | 1.25 (0.01) | |
| AA/TIP3P | 1.68 (0.08) | 1.47 (0.50) | 0.95 (0.02) | |
| Cα RMSD of average structure (Å) | AA/CG | 1.70 | 2.75 | 2.00 |
| CG | 4.03 | 4.35 | 2.94 | |
| AA/GBMV | 1.49 | 0.79 | 1.05 | |
| AA/TIP3P | 1.19 | 1.09 | 0.55 | |
| Average Cα radius of gyration Rg (Å) | AA/CG | 7.45 (0.07) | 10.50 (0.30) | 10.74 (0.02) |
| CG | 6.97 (0.15) | 9.61 (0.04) | 10.19 (0.03) | |
| AA/GBMV | 6.94 (0.001) | 9.74 (0.01) | 10.29 (0.01) | |
| AA/TIP3P | 7.04 (0.04) | 10.02 (0.16) | 10.37 (0.03) | |
| Exp. (from PDB) | 7.00 | 9.63 | 10.36 |
Standard errors are provided in parentheses.