Table 17.
Hydrogen bond analysis for the complex of nsp3 of CHIKV-178 for 10 ns at 375K.
| S. No. | Acceptor | Donor H | Donor N | Occupancy | Avg. Dist. | Avg. Ang. |
|---|---|---|---|---|---|---|
| 1. | DRG_157@O2 | ASN_25@HD21 | ASN_25@ND2 | 0.0226 | 2.8542 | 159.5127 |
| 2. | DRG_157@O2 | ARG_27@HE | ARG_27@NE | 0.0224 | 2.8471 | 153.4673 |
| 3. | DRG_157@O2 | ARG_27@HH11 | ARG_27@NH1 | 0.0171 | 2.8360 | 150.1817 |
| 4. | DRG_157@O1 | ILE_12@H | ILE_12@N | 0.0170 | 2.8755 | 159.2632 |
| 5. | DRG_157@O2 | LEU_29@H | LEU_29@N | 0.0144 | 2.8779 | 157.7655 |
| 6. | DRG_157@O3 | ILE_12@H | ILE_12@N | 0.0107 | 2.8717 | 157.2507 |
| 7. | DRG_157@O1 | LYS_40@HZ1 | LYS_40@NZ | 0.0081 | 2.8181 | 153.6666 |
| 8. | DRG_157@O1 | LYS_40@HZ3 | LYS_40@NZ | 0.0066 | 2.8417 | 154.3329 |
| 9. | TYR_141@O | DRG_157@H5 | DRG_157@N2 | 0.0062 | 2.8734 | 161.1651 |
| 10. | DRG_157@O2 | TYR_39@HH | TYR_39@OH | 0.0060 | 2.7157 | 157.5764 |