Table 15.
Hydrogen bond analysis for the complex of nsp3 of CHIKV-178 for 10 ns at 325K.
| S. No. | Acceptor | Donor H | Donor N | Occupancy | Avg. Dist. | Avg. Ang. |
|---|---|---|---|---|---|---|
| 1. | TYR_141@O | DRG_157@H5 | DRG_157@N2 | 0.3578 | 2.8639 | 158.1934 |
| 2. | DRG_157@O3 | ILE_12@H | ILE_12@N | 0.1336 | 2.8855 | 153.9108 |
| 3. | DRG_157@O1 | ARG_143@HH21 | ARG_143@NH2 | 0.0751 | 2.8547 | 151.3636 |
| 4. | DRG_157@O5 | LEU_108@H | LEU_108@N | 0.0743 | 2.9011 | 155.9742 |
| 5. | DRG_157@O1 | ARG_143@HE | ARG_143@NE | 0.0584 | 2.8684 | 151.7363 |
| 6. | DRG_157@O4 | LEU_108@H | LEU_108@N | 0.0551 | 2.9004 | 155.4182 |
| 7. | DRG_157@O2 | VAL_113@H | VAL_113@N | 0.0150 | 2.9026 | 161.3469 |
| 8. | DRG_157@O2 | THR_111@HG1 | THR_111@OG1 | 0.0149 | 2.7488 | 161.4391 |
| 9. | CYS_142@O | DRG_157@H5 | DRG_157@N2 | 0.0052 | 2.8668 | 143.4847 |
| 10. | DRG_157@O5 | THR_111@HG1 | THR_111@OG1 | 0.0024 | 2.8525 | 153.3075 |