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Overview of the Six Rotamer Libraries Used in This Work
| rotamer library | number of rotamers | refs |
|---|---|---|
| L1: Dunbrack2010BBdep | 726939 (561 per bin) | Shapovalov and Dunbrack21 |
| L2: Dunbrack2010BBdep1per | 260500 (201 per bin) | Shapovalov and Dunbrack21 |
| L3: Dunbrack2010BBdep3per | 157190 (121 per bin) | Shapovalov and Dunbrack21 |
| L4: Honig3222 | 3222 | Xiang and Honig22 |
| L5: Honig7421 | 7421 | Xiang and Honig22 |
| L6: Honig11810 | 11810 | Xiang and Honig22 |
