Table 1.

Primary mutation informatics of the RBD region of different variants in reference to wild-type protein (PDB code: 6M0J) of SARS-CoV-2^a.

Variants	Position	W/M	Side-chain polarityb	PIc	HId	ΔΔG (kcal/mol)e	Overall stability of modelf	Potential energy of modeled structure (kcal/mol)g
Alpha	484	E	AP	3.22	−3.5	–0.34	Destabilizing	–13 858
		K	BP	9.73	−3.9
	494	S	P	5.68	−0.8	3.21	Stabilizing
		P	NP	6.30	3.21
	501	N	P	5.41	−3.5	0.78	Stabilizing
		Y	P	5.66	0.78
Beta	417	K	BP	9.73	−3.9	–2.08	Destabilizing	–12 034
		N	P	5.41	–2.08
	484	E	AP	3.22	−3.5	–0.34	Destabilizing
		K	BP	9.73	−3.9
	501	N	P	5.41	−3.5	0.78	Stabilizing
		Y	P	5.66	–1.3
Gamma	417	K	BP	9.73	−3.9	–0.85	Destabilizing	–11 779
		T	P	5.60	−0.7
	484	E	AP	3.22	−3.5	–0.34	Destabilizing
		K	BP	9.73	–0.34
	501	N	P	5.41	−3.5	0.78	Stabilizing
		Y	P	5.66	–1.3
Delta	417	K	BP	9.73	−3.9	–2.08	Destabilizing	–16 446
		N	P	5.41	−3.5
	452	L	NP	5.96	3.8	–0.48	Destabilizing
		R	BP	10.76	−4.5
	478	T	P	5.60	−0.7	0.41	Stabilizing
		K	BP	9.73	−3.9
Lambda	452	L	NP	5.96	3.8	–3.5	Destabilizing	–12 034
		Q	P	5.65	−3.5
	490	F	NP	5.48	2.8	–0.66	Destabilizing
		S	P	5.68	−0.8
Omicron	417	K	BP	9.73	−3.9	–2.08	Destabilizing	–11 293
		N	P	5.41	−3.5
	440	N	P	5.41	−3.5	–7.31	Destabilizing
		K	BP	9.73	−3.9
	446	G	NP	5.97	–0.4	–1.94	Destabilizing
		S	P	5.68	−0.8
	477	S	P	5.68	−0.8	0.69	Stabilizing
		N	P	5.41	−3.5
	478	T	P	5.60	−0.7	0.41	Stabilizing
		K	BP	9.73	−3.9
	484	E	AP	3.22	−3.5	–0.43	Destabilizing
		A	NP	6.00	1.8
	493	Q	P	5.65	−3.5	2.89	Stabilizing
		R	BP	10.76	−4.5
	496	G	NP	5.97	–0.4	–1.96	Destabilizing
		S	P	5.68	−0.8
	498	Q	P	5.65	−3.5	2.73	Stabilizing
		R	BP	10.76	−4.5
	501	N	P	5.41	−3.5	0.78	Stabilizing
		Y	P	5.66	–1.3
	505	Y	P	5.66	–1.3	–3.18	Destabilizing
		H	BP	7.59	–3.2
		R	BP	10.76	−4.5

^aAbbreviations: Ap, acidic polar; Bp, basic polar; M, mutant; N, neutral; Np, nonpolar; P, polar; W, wild type (PDB code: 6M0J).

^bSide-chain charge, pH 7.4.

^cIsoelectric point at pH 7.0.

^dHydropathy index.

^eDifference in free energy of unfolding between wild-type and mutant proteins (CUPSAT webtool).

^fOverall stability of model (CUPSAT webtool).

^gAssessed using MOE software.2, 16