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| Van der Waals | 0.1 | Site -2 | 0.5 |
| Electrostatic | 0.6 | Site -1 | 0.5 |
| Backbone Strain | 0 | Site 0 | 1.0 |
| Backbone Conformational Propensity | 0 | Site +1 | 0.2 |
| Side-chain Conformational Propensity | 0 | Site +2 | 0.1 |
| Desolvation FE of Substrate side chain | 1.0 | ||
| Desolvation FE of βSBD site | 0.4 | Reverse penalty (kcal/mol) | 0 |
