Table 2.

Binding energy, ICM score and interaction sites of ATP⁴⁻ and Genistein.

Docking against ASFV-topo II dimer model
Compound	Binding energy (kcal/mol)	ICM score	H-bond		Hydrophobic interaction
			Amino acid-ligand atom	Distance (Å)	Amino acid-ligand atom	Distance (Å)
ATP4-	−3.02	−102.9	N64⋯O5	3.061	H68⋯C9	4.342
			G99⋯O3	3.117	I100⋯C9	3.929
			T143⋯O11	2.791	H105⋯C1	4.477
			V146⋯O12	2.671	V118⋯C4	4.011
			G147⋯O12	2.93	A122⋯C2	3.253
			L148⋯O8	3.217	G129⋯C2	3.654
			K149⋯O6	2.701	T130⋯C3	3.729
			K368⋯O13	2.819
			Mg2+⋯O9	2.084
			Mg2+⋯O13	1.848
Genistein	−4.62	−59.07	N144⋯O3	3.022	V63⋯C1	3.696
			N144⋯O2	2.969	G142⋯C9	3.68
			V146⋯O2	2.948	T143⋯C15	3.602
			G147⋯O2	3.207	G145⋯C3	3.84
			L148⋯O1	3.088	I304⋯C12	3.963
					V307⋯C11	4.354
					I361⋯C12	3.295
					W363⋯C14	3.435
					K368⋯C11	2.125