Table 6.

Identified important residues in nCoV S-protein RBD and their hydrogen bond interactions sustained during the 100 ns simulation run time.

MDS run time (ns)	nCoV Spike protein RBD residues
10, 20, 30, 40, 50, 60, 70, 80, 90, 100	Gln 493
10, 20, 30, 40, 60, 70, 80, 90, 100	Gln 498
10, 20, 30, 40, 60, 80, 90, 100	Asn 487
20, 40, 50, 60, 70, 80, 90, 100	Tyr 505
30, 40, 50, 60, 70, 80, 90, 100	Lys 417
10, 20, 30, 70, 80, 90, 100	Thr 500
10, 20, 30, 40, 70, 100	Tyr 489
10, 20, 40, 70, 90, 100	Asn 501
40, 50, 60, 80, 90, 100	Tyr 453
20, 30, 50, 60, 80	Ala 475
20, 70, 90, 100	Leu 492
10, 20, 30	Gly 502
20, 40, 90	Phe 490
20, 30	Gly 496
60, 80	Glu 484
30	Gly 446
50	Arg 408, Tyr 449