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Average binding free energy
| Energy | Bound form | Free form | Adaptation |
|---|---|---|---|
| BOND | 0.0 (± 0.0) | −1.8 (± 1) | 1.8 (± 1) |
| VDW | −49.1 (± 0.3) | −68.3 (±1) | 19.2 (± 1) |
| ELE | −3074.5 (± 2) | −2544.9 (± 4) | −529.6 (± 2) |
| SURNP | −9.1 (± 0.1) | −9.2 (± 0.3) | 0.1 (± 0.1) |
| PB | 3011.1 (± 3) | 2510.4 (± 4) | 500.7 (± 3) |
| GB | 3011.7 (± 3) | 2505.3 (± 4) | 506.4 (± 2) |
| ΔG∗PB | −121.6 (± 1) | −113.7 (± 1) | −7.9 (± 1) |
| ΔG∗GB | −121.0 (± 1) | −118.8 (± 1) | −2.2 (± 1) |
Total energy, sum of all the above energy terms.
