Table 7.

Computational alanine scanning (CAS) results for the important residues contributing to the binding affinity (measurement unit: kcal·mol⁻¹).

System	Mutation	Computational Mutation Energy (ΔΔGmut)
QeH-(R)-QE	Glu328 > ALA	1.27
	Tyr331 > ALA	0.34
	Tyr350 > ALA	0.75
	Trp351 > ALA	2.01
	Gly352 > ALA	1.29
	Arg384 > ALA	0.95
QeH-(S)-QE	Tyr189> ALA	1.17
	Phe326 > ALA	0.51
	Glu328 > ALA	0.89
	Tyr350 > ALA	0.9
	Trp351 > ALA	2.02
	Val354 > ALA	0.44