Binding affinity comparison between the wild type and mutant systems. All the energies are given in kcal mol⁻¹.

Complex	vdW	Elec	Δ PS	SASA	ΔGbind
Wild	−19.25	−23.37	23.48	−3.19	−8.13
F94L	−15.37	−14.21	17.15	−5.24	−5.17
F94S	−2.34	−79.44	77.25	−2.28	−6.81
G97C	−2.20	−71.50	80.71	−1.58	−4.31
G97D	−2.48	−98.95	85.20	−2.16	−2.03
G97S	−0.80	−0.85	0.13	−0.04	−0.25
K96N	−3.09	−92.37	97.70	−2.13	−5.09
K96R	−3.65	−91.22	91.24	−3.12	−5.21