System Energy Components (Kcal/mol) Energy Components (Kcal/mol) Energy Components (Kcal/mol) Energy Components (Kcal/mol) Energy Components (Kcal/mol) Energy Components (Kcal/mol) Energy Components (Kcal/mol)
ΔvdW ΔEEL ΔGgas (vdW +EEL) ΔEGB Esurf ΔGsolv (EGB + Esurf) ΔGbind(ΔGgas+ ΔGsolv)
WT -179.58 -12741.14 -12920.73 12731.17 -26.78 12704.39 -216.33
T144R -200.83 -13973.14 -14173.97 13931.96 -31.20 13900.75 -273.21
R145L -154.25 -11330.80 -11485.05 11320.65 -24.34 11296.30 -188.74
R145W -176.69 -11768.18 -11944.88 11746.98 -26.51 11720.47 -224.41
A149V -199.55 -12685.84 -12885.39 12653.24 -27.82 12625.41 -259.97
Y169F -191.86 -12220.75 -12412.62 12229.44 -25.96 12203.48 -209.14
K172N -177.34 -11831.65 -12008.99 11819.07 -26.10 11792.96 -216.03
Q188E -191.04 -11901.53 -12092.57 11891.88 -27.61 11864.27 -228.29
N195S -175.27 -12576.62 -12751.90 12549.39 -25.41 12523.97 -227.92
R197C -175.22 -10911.09 -11086.32 10941.55 -22.61 10918.94 -167.37
R197H -183.60 -11180.89 -11364.50 11216.89 -23.21 11193.68 -170.81
R197S -197.59 -11790.22 -11987.81 11797.95 -27.36 11770.59 -217.22
R198W -193.84 -11505.21 -11699.05 11501.27 -26.45 11474.82 -224.23
R199C -164.24 -11674.88 -11839.13 11676.65 -23.88 11652.76 -186.36
R199H -172.79 -11847.76 -12020.56 11860.36 -24.96 11835.39 -185.16