Thermodynamics analysis of menG-DMK9 and menG-DG70 interactions^a.

Complex	Energy components (kcal mol−1)
	ΔEvdw	ΔEele	ΔGgas	G sol	ΔGbind
ApoDMK9	−16.87	−13.92	−15.61	−30.69	−31.64
ApoDG70	−16.09	−13.91	−15.52	−31.50	−32.48
ApoDG70Exp	−16.13	−13.99	−15.60	−30.45	−31.41

^aApoDG70Exp is the same as menG-DG70 system reported by Sukheja et al. (2017) whose thermodynamics data was obtained to compare with that of ApoDG70 (inhibitor-bound system) studied in this work. ApoDMK9 is the substrate-bound system.