Table 2.

Fitting results for Neutral, Charged, and Glycine/Proline mutations, Individually and Combined.

Residue Type	Model #	np	α	β	γ	δ	ε	< | error | >jack	rjack
All	1	2	0.32	0.07	0.07	0.00	0.00	0.95	0.60
Neutral	2	5	0.17	0.13	0.21	−0.19	−0.94	0.83	0.67
Charged	2	2	0.17	0.07	0.07	0.00	0.00	0.73	0.38
Glycine/Proline	2	2	0.53	0.08	0.08	0.00	0.53	0.94	0.75

np= number of LIE coefficients; α, β, γ, δ and ε are the LIE coefficients;

|error|_jack= average unsigned error for jack-knife validation; r_jack = pearson correlation coefficient for the jack knife validation;

The average unsigned error for the jack knife validation is in units of kcal/mol.

Models 1 and 2 were fit using the equation:

$$\mathrm{\Delta }\mathrm{\Delta }{G}_{\mathit{calc}}=\alpha (\mathrm{\Delta }\mathrm{\Delta }<V_{LJ}>)+\beta (\mathrm{\Delta }\mathrm{\Delta }<V_{el}>)+\gamma (\mathrm{\Delta }\mathrm{\Delta }<G_{el}>)+\delta (\mathrm{\Delta }\mathrm{\Delta }<G_{\mathit{cav}}>)+\epsilon (\mathrm{\Delta }\mathrm{\Delta }<G_{\mathit{vdw}}>)$$