Table 4.

Protein–ligand interaction profiler (PLIP) analysis for docking results of Remdesivir against the different clusters of SARS-CoV-2 RdRp

Cluster number	RdRp conformation at	H-bonding		Salt bridges		Hydrophobic interactions
		Number	Amino acids involved	Number	Amino acids involved	Number	Amino acids involved
1	5.9 ns	9	K621, D760, D761(4), W800, and S814(2)
2	13.7 ns	5	R555, D618, K621, D760, and D761	6	K551(2), R555, and K621(3)
3	18.6 ns	5	R555(2), K621(2), and D760	4	R555(3), and R624	1	R553
4	9.2 ns	10	D618, Y619, K621, D760(4), D761(2), and S814	4	K551, R555(2), and K621	1	K551
5	12.7 ns	7	K545, Y619, K621, D623, R624, and D760(2)	3	R555(2), and K621