Beni-Suef University Journal of Basic and Applied Sciences

Table 6 HawkDock-MM/GBSA per-residue binding energy for the wild-type protein–protein complexes

From: Computer-aided molecular modeling and structural analysis of the human centromere protein–HIKM complex

Chain(s)	Position	Residue(s)	VDW	ELE	GB	SA	Total (Kcal/mol)
H	119	LEU	− 3.88	− 2.80	2.74	− 0.68	− 4.62
H	225	VAL	− 0.06	− 0.36	0.31	0	− 0.11
H	233	LEU	− 0.04	0.17	− 0.15	0	− 0.02
H	234	LYS	− 1.73	1.37	− 0.27	− 0.35	− 0.98
H	238	LEU	− 1.11	1.63	− 1.02	− 0.26	− 0.75
M	94	LEU	− 3.54	− 1.07	1.98	− 0.55	− 3.18
M	163	LEU	− 2.38	− 0.58	0.7	− 0.36	− 2.62

The output displays the mutated chains, residue positions, van der Waals potential, electrostatic potential, generalized born scores, solvent accessibility and the total binding energy score

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