. 2021 Dec 3;23:S1–S13. doi: 10.1016/j.vacun.2021.10.002

Table 2.

Effect of mutation on the structural dynamics of protease protein as shown by ΔΔS ENCoM and ΔΔG values.

S. no.	Wuhan isolate	Indian isolates	Amino acid position	ΔΔG Dynamut	ΔΔS ENCoM	ΔΔG ENCoM	Mutation type
1.	K	R	236	0.441 kcal/mol	− 0.138 kcal.mol⁻¹ K⁻¹	0.110 kcal/mol	Stabilizing
2.	N	L	142	-0.029 kcal/mol	− 0.052 kcal.mol⁻¹ K⁻¹	0.041 kcal/mol	Destabilizing
3.	K	R	90	0.456 kcal/mol	0.125 kcal.mol⁻¹ K⁻¹	− 0.100 kcal/mol	Stabilizing
4.	A	V	7	0.653 kcal/mol	− 0.472 kcal.mol⁻¹ K⁻¹	0.377 kcal/mol	Stabilizing
5.	L	F	75	1.200 kcal/mol	− 0.322 kcal.mol⁻¹ K⁻¹	0.258 kcal/mol	Stabilizing
6.	C	N	22	0.884 kcal/mol	− 0.030 kcal.mol⁻¹ K⁻¹	0.024 kcal/mol	Stabilizing
7.	H	Y	246	− 0.028 kcal/mol	− 0.108 kcal.mol⁻¹ K⁻¹	0.087 kcal/mol	Destabilizing
8.	I	V	43	− 1.002 kcal/mol	0.253 kcal.mol⁻¹ K⁻¹	− 0.202 kcal/mol	Destabilizing