Table 3.

Free energy contribution (kcal/mol) by residue and the corresponding free energy difference of H-Ras–NS1–GDP ^a.

	Residue	WT	R135K	Energy Difference b
NS1	D29	−3.25 (2.59)	−1.56 (2.39)	1.69
	Y30	−3.02 (0.48)	−2.05 (0.77)	0.97
	K44	1.24 (0.65)	1.62 (1.39)	0.38
	W72	−6.02 (0.68)	−5.32 (0.73)	0.70
	W74	−2.11 (0.91)	−1.52 (0.88)	0.59
	Y79	−8.96 (0.87)	−8.04 (1.07)	0.92
H-Ras–GDP	R128	−3.40 (2.33)	−1.15 (2.38)	2.25
	Q131	−2.68 (1.36)	−2.01 (1.21)	0.67
	R135K	−10.56 (1.94)	−2.75 (3.27)	7.81
	I142	−2.65 (0.76)	−2.34 (0.76)	0.31
	E143	−1.70 (1.09)	−0.94 (1.29)	0.76

^a Number in the parentheses are the standard deviations; ^b Energy difference was calculated by G_R135K-G_WT.