Table 2.

MM-GBSA analysis for the interaction of the different complexes formed between FaEG1 with the different XG and cellulose ligands.

Complex		ΔHvdWMM (kcal mol−1)	ΔHelecMM (kcal mol−1)	ΔGsol–pol (kcal mol−1)	ΔGsol–npol (kcal mol−1)	ΔGbind (kcal mol−1)
FcEG1	Cellulose	−67.21	−71.11	67.30	−52.30	−123.32 ± 9 a
	XXXGXXXG	−55.21	−58.14	63.10	−25.06	−75.31 ± 5 ab
	XXFGXXFG	−52.85	−26.51	46.68	−30.97	−63.65 ± 8 b

ΔH^vdW_MM, van der Waals contributions; ΔH^elec_MM, electrostatic contribution; ΔG_sol–pol, ΔG_sol–npol, contribution of solvation; ΔG_bind, total binding energy. Different superscripted letters indicate significant differences in each protein with the different ligands. (Tukey HSD test, P = 0.05).