Parameter | Value2 | Treatment | Description |
---|---|---|---|
U hb | Context dependent | Empirical potential [26] | Intramolecular H-bond energy |
γ max | 1.99 | Constant | Linearly relates H-bond pure entropy to its energy |
u | -1.91 | Fitting | H-bond to solvent energy upon breaking of intramolecular H-bond |
v | -0.64 | Fitting | Native torsional constraint energy |
δ nat | 1.42 | Fitting | Native torsional constraint pure entropy |
δ dis | 2.56 | Constant | Disordered torsional constraint pure entropy |