Table 18.
Hydrogen bond analysis for the complex of nsp3 of CHIKV-178 for 10 ns at 400K.
| S. No. | Acceptor | Donor H | Donor N | Occupancy | Avg. Dist. | Avg. Ang. |
|---|---|---|---|---|---|---|
| 1. | TYR_141@O | DRG_157@H5 | DRG_157@N2 | 0.6688 | 2.8431 | 158.3383 |
| 2. | DRG_157@O2 | THR_111@HG1 | THR_111@OG1 | 0.1200 | 2.7640 | 155.7204 |
| 3. | DRG_157@O3 | ILE_12@H | ILE_12@N | 0.1072 | 2.8922 | 155.5073 |
| 4. | DRG_157@O5 | LEU_108@H | LEU_108@N | 0.0505 | 2.8993 | 156.8353 |
| 5. | DRG_157@O4 | LEU_108@H | LEU_108@N | 0.0499 | 2.8966 | 157.0258 |
| 6. | DRG_157@O3 | ARG_143@H | ARG_143@N | 0.0402 | 2.8818 | 143.2893 |
| 7. | DRG_157@O1 | VAL_34@H | VAL_34@N | 0.0288 | 2.8797 | 161.2791 |
| 8. | DRG_157@O1 | ARG_143@HH11 | ARG_143@NH1 | 0.0285 | 2.8454 | 153.7032 |
| 9. | DRG_157@O1 | ARG_143@HH21 | ARG_143@NH2 | 0.0035 | 2.8205 | 155.3732 |
| 10. | DRG_157@O1 | ARG_143@HE | ARG_143@NE | 0.0029 | 2.8604 | 148.6303 |