Open Access
Table 2
Docking energy of combination III (AQP + AAPO) with its interacting residue in kcal/mol.
| Server | Docking complex | Combination III |
|---|---|---|
| ClusPro | Energy | −1448.9 kcal/mol |
| Polar contacts on AQP | T49, S110, N213 | |
| Polar contacts on AAPO | G175, P177, G202, R203 | |
| HDOCK | Energy | −61.634 kcal/mol |
| Polar contacts on AQP | F102, S106, S110, N213 | |
| Polar contacts on AAPO | Q182, I182, G202, R203 | |
| pyDock | Energy | −317 kcal/mol |
| Polar contacts on AQP | S99, N213 | |
| Polar contacts on AAPO | N197, R211 |
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