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Summary of the loop conformational predictions results with the OPLS-AA/AGBNP+ force field and T-REMD conformational sampling, compared to the corresponding predictions with the PLOP-based standard sampling procedure.
| PDB (Rfirst–Rlast) | PLOP RMSD (Å) | T-REMD RMSD (Å) |
|---|---|---|
| 1npk (102–110) | 3.60 | 4.30 |
| 1one (70–78) | 7.43 | 2.06 |
| 1fus (31–39) | 6.03 | 1.78 |
| 1byb (246–254) | 4.00 | 4.95 |
| 1noa (99–107) | 5.67 | 3.94 |
| 1wer (942–950) | 4.29 | 1.34 |
