Table 5.

List of important residues identified in ACE2 receptor and their hydrogen bond interactions sustained during the 100 ns simulation run time.

MDS run time (ns)	ACE2 receptor residues
10, 20, 30, 40, 50, 60, 70, 80, 90, 100	Glu 35
10, 20, 30, 40, 60, 70, 80, 90, 100	Tyr 83
10, 20, 40, 50, 60, 70, 80, 90, 100	Asp 38
10, 20, 40, 60, 70, 80, 90, 100	Lys 31
20, 40, 50, 60, 70, 80, 90, 100	Glu 37
30, 40, 50, 60, 70, 80, 90, 100	His 34
10, 20, 30, 40, 70, 90, 100	Lys 353
30, 40, 50, 60, 70, 80, 100	Asp 30
10, 30, 50, 60, 80	Gln 24
30, 70, 80, 90, 100	Gln 42
10, 20, 30, 40	Thr 27
10, 20, 30	Tyr 41
20, 60	Ser 19
10	Asp 355
50	Ala 387