Table 2.
Main hydrogen-forming residues during molecular dynamics in different proteins. Residue numbering is based on the catalytic domain (Table S1).
| Protein | Compound | Residues |
|---|---|---|
| FP-2 | SANC00364 | C42, W206 |
| SANC00367 | K37, C39, W207 | |
| SANC00371 | Q36, N38, C39, W206 | |
| 126462623 | Q36, N81, G83, N173, W206 | |
| VP-2 | SANC00364 | D36, W207 |
| SANC00367 | A38, H175, W207 | |
| SANC00371 | Q37, A38, W207 | |
| 126462623 | Q37, G84, N174, W207 | |
| BP-2 | SANC00364 | Q37, W207 |
| SANC00367 | Q37, E82, N174 | |
| SANC00371 | Q37, G84, W207 | |
| 126462623 | Q37, G84, N174, W207 | |
| Cat-K | SANC00364 | W184 |
| SANC00367 | Q19, W184 | |
| SANC00371 | Q19, W184 | |
| 126462623 | Q19, W184 | |
| Cat-L | SANC00364 | Q20 |
| SANC00367 | N19, W190 | |
| SANC00371 | G21, W190 | |
| 126462623 | Q20, G21 |