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. 2021 Jan 3;26(1):171–181. doi: 10.1007/s11030-020-10178-z

Table 3.

Protein–ligand interaction profiler (PLIP) analysis for docking results of sofosbuvir 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 8 R555(2), K621, R624(2), T680, T687, and D760 3 R555(3)
2 13.7 ns 8 S549, R555(2), Y619, K621, C622, D623, and N691 1 R555
3 18.6 ns 9 S549(2), R555(2), K621, D623, D760, and R836(2) 2 R555(2)
4 9.2 ns 12 Y619(2), K621, C622, D623(2), N691, D760(4), and D761 1 Y619
5 12.7 ns 12 K551, N552, R553(2), R555(2), D618, Y619, K621, D623, R624, and D761 5 K551(2), R555, and K621(2) 1 D760