TABLE 1.

The average RMSD, solvent accessible surface area (SASA), and radius of gyration for the simulated systems.

System	RMSD (Å)	SASA (Å2)	Rg (Å)
RBD (wild)-hACE2	2.59(0.23)	35715.96(405.59)	31.58(0.26)
RBD (N439K)-hACE2	2.73(0.34)	36121.38(338.31)	31.54(0.21)
RBD (wild)	2.37(0.39)	10608.14(180.55)	18.23(0.07)
RBD (N439K)	2.76(0.50)	10784.89(155.95)	18.26(0.07)
hACE2 (wild)	2.65(0.23)	26986.65(349.86)	24.98(0.18)
hACE2 (N439K)	3.02(0.65)	27296.22(325.29)	25.14(0.13)

Standard errors of the mean (SEM) are provided in parentheses.