Comparison of the coefficient of determination for polar and non-polar components^a.

Variants	IC50 change (fold)	Relative energy to the wild-type (kcal mol−1)
		E vdW	E surf	E NP	E Elec	E GB	E P
G147R	0.880	−0.614	−0.042	−0.655	−3.667	4.693	1.027
H274Y	4.204	−1.138	0.063	−1.076	7.512	−4.523	2.989
G147R/H274Y	4.844	−1.928	0.093	−1.835	7.175	−3.522	3.652
R		−0.940	0.903	−0.928	0.902	−0.788
R 2		0.884	0.815	0.861	0.814	0.621	0.987

^a E _vdW = van der Waals energy, E_surf = nonelectrostatic solvation energy, E_NP = non-polar energy contribution, E_ELEC = electrostatic energy, E_GB = electrostatic solvation energy, E_P = polar energy contribution.