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Calculated total (ETotal) and electrostatic energy (EElec) for the most contributing oxygen atoms to the interaction energy of the complex. Energies in kcal/mol.
| energy | MMP-8 | |||
| 3 | 4 | 5 | 6 | |
| ETotal (O1) | −22.03 | −32.22 | −35.880 | −34.11 |
| EElec (O1) | −24.20 | −39.97 | −38.200 | −38.71 |
| EElec (Zn) | −13.63 | −22.83 | −20.4092 | −19.51 |
