Table 3.

Effects of viral variations on SARS-Cov-2 S stability and RBD–ACE2 interaction

Virus number with variation	Viral variation	ΔΔG (mean)	SNAP score	Mutation with maximum ΔΔG		Mutation with minimum ΔΔG
Full-length S monomer stability
5703	D614G	−0.784	−52	D614P	4.419	D614G*	−0.784
37	D936Y	−0.304	62	D936P	2.127	D936F	−0.393
26	S943I	0.299	−55	S943V	0.582	S943K	−0.435
25	H49Y	−1.902	−40	H49P	3.498	H49W	−3.068
24	G1124V	3.595	0	G1124P	4.969	G1124M	1.507
1	V341I	−1.005	−82	V341P	3.573	V341I	1.005
7	S50L	−2.614	−69	S50G	−0.073	S50L	−2.614
1	T724I	−2.590	−68	T724G	1.797	T724M	−3.422
5	N439K	−0.197	−61	N439F	1.919	N439I	−1.628
2	S438F	18.399	−9	S438Y	22.163	S438V	−2.182
RBD stability
24	V483A	−0.196	−69	V483P	3.162	V483K	−0.851
13	V367F	−0.597	−47	V367P	0.937	V367Q	−0.829
8	G476S	2.122	−20	G376P	6.207	G476S	2.122
7	A520S	0.904	−90	A520P	6.477	A520G	−0.882
6	Q414E	0.914	−90	Q414P	3.914	Q414K	−0.197
1	V341I	−1.256	−82	V341F	7.216	V341I	−1.256
1	L452R	0.021	−53	L452P	4.085	L452R	0.021
1	V503F	−0.251	−34	V503H	0.843	V503P	−1.241
5	N439K	−0.910	−61	N439P	1.566	N439L	−1.081
2	S438F	10.980	−9	S438H	21.958	S438C	−0.671
RBD–ACE2 binding affinity		ΔΔΔG (Mean)		Maximum ΔΔΔG		Minimum ΔΔΔG
24	V483A	0.000	−69	V483D	0.05		0
13	V367F	0.000	−47		0		0
8	G476S	0.751	−20	G476D	2.273	G476F	0.092
6	Q414E	0.000	−90	Q414W	0.002		0
7	A520S	0.000	−90		0		0
1	V341I	0.000	−82	V341R	0.002		0
1	L452R	−0.395	−53	L452D	0.105	L452R	−0.395
1	V503F	−0.264	−34	V503D	0.705	V503W	−0.487
5	N439K	0.178	−61	N439E	0.363	N439R	−0.183
2	S438F	0.002	−9	S438K	0.003		0

Note: The mutations with maximum or minimum ΔΔG/ΔΔΔG values in the same positions of viral variations are shown. The most common viral variations and variations with the largest or smallest ΔΔG/ΔΔΔG are bold. The viral variations that have minimum ΔΔG/ΔΔΔG values in their positions are underlined.