Volume-based solvation models out-perform area-based models in combined studies of wild-type and mutated protein-protein interfaces

Table 5 Weights for volume-based binding models.

Model type	ΔG	ΔG	ΔΔG	ΔΔG	ΔG	ΔG	ΔΔG	ΔΔG
ΔG _ROT-TRANS	0	0	-	-	0	0	-	-
Un/Locked	L	U	L	U	L	U	L	U
Packing Scheme	Minimal-HighSA				Complete-LowSA
VOL-NP	-0.12	-0.11	-0.31	-0.28	0.20	0.24	0.04	0.02
VOL-P	1.00	0.85	1.79	1.45	-0.03	-0.08	0.55	0.61
IONIS-FDDH	0.44	0.43	-0.01	-0.05	0.19	0.18	0.28	0.29
IONIS-DESOLV	-0.19	0.11	0.26	0.23	0.17	0.26	0.30	0.35
SC-ROT	-0.07	-0.49	-0.01	-1.04	-0.06	0.08	-0.24	-0.29
R ² correlation	0.46	0.50	0.62	0.64	0.64	0.66	0.64	0.66

Weights are w for ΔG model, w' for ΔΔG models. U/L is Unlocked/Locked interfacial sidechains, applied to SC-ROT.

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