Binding energy of ligand for AlbC WT and F186L.

	Binding energya (kcal mol−1) of WT	Binding energyb (kcal mol−1) of F186L	Binding energyc (kcal mol−1) of F186L
ΔGVDWd	−35.01	−23.67	−34.27
ΔGEte	−31.95	−8.70	−29.37
ΔGpolarf	48.71	31.08	47.60
ΔGapolarg	−5.60	−4.08	−5.50
ΔGbindingh	−23.85	−5.37	−21.54

^aWT-cFL.

^bF186L-cFV.

^cF186L-cFL.

^dvan der Waals energy.

^eElectrostatic energy.

^fPolar-solvation energy.

^gNonpolar solvation energy.

^hΔG_binding = ΔG_VDW + ΔG_Et + ΔG_polar + ΔG_apolar.