TABLE 1.

Comprehensive detail of intermolecular interaction of interfacial residues of RDB of WT, Delta, and Omicron with human ACE2 receptor.

Complex	RDB residue	ACE2 residue	Bond type	Distance (Å)	Occupancy (%)
WT RDB-ACE2	K417	D30	Salt bridge	3.05	85
	G446	Q42	Hydrogen bond	2.92	79
	Y449	D38	Hydrogen bond	1.75	80
	Y449	Q42	Hydrogen bond	3.57	85
	N487	Q24	Hydrogen bond	3.13	90
	N487	Y83	Hydrogen bond	2.18	94
	Y489	Y83	-	-	-
	Q493	E35	Hydrogen bond	2.53	51
	T500	Y41	Hydrogen bond	2.57	59
	N501	Y41	Hydrogen bond	3.24	85
	G502	K353	Hydrogen bond	1.99	78
	Y505	E37	Hydrogen bond	1.75	50
	Y505	R393	Hydrogen bond	3.02	73
Delta RDB-ACE2	K417	D30	Salt bridge	3.22	91
	G446	Q42	-	-	-
	Y449	D38	Hydrogen bond	2.84	88
	Y449	Q42	-	-	-
	N487	Q24	Hydrogen bond	3.61	68
	N487	Y83	Hydrogen bond	3.27	70
	Y489	Y83	Hydrogen bond	3.70	65
	Q493	E35	Hydrogen bond	2.96	44
	T500	Y41	Hydrogen bond	3.56	62
	N501	Y41	Hydrogen bond	1.94	89
	G502	K353	Hydrogen bond	3.22	85
	Y505	E37	Hydrogen bond	2.12	81
	Y505	R393	Hydrogen bond	3.11	82
Omicron RBD-ACE2	N417	D30	-	-	-
	S446	Q42	-	-	-
	Y449	D38	Hydrogen bond	1.93	70
	Y449	Q42	Hydrogen bond	2.92	77
	N487	Q24	Hydrogen bond	2.34	82
	N487	Y83	Hydrogen bond	2.76	80
	Y489	Y83	Hydrogen bond	2.53	75
	R493	E35	Hydrogen bond	2.66	83
	T500	Y41	Hydrogen bond	2.25	62
	Y501	Y41	π-π	3.52	85
	G502	K353	Hydrogen bond	2.97	76
	H505	E37	Hydrogen bond	1.82	95
	H505	R393	Hydrogen bond	3.22	98