Table 3a.

Residue-wise interaction energies of the interfacial residues of RBD in RBD/ACE2 complex for the systems under study.

Residue	WT	Alpha	Beta	Gamma	Delta
LYS417*	−281.10	−281.92	−7.28	−3.33	−257.77
Lys444	−213.86	−208.76	−202.51	2.91	−210.82
Leu452*	−1.24	−1.46	−1.47	−0.01	−199.57
Arg454	−188.10	−188.17	−184.91	−0.86	−184.60
Phe456	−12.33	−12.09	−11.14	2.39	−11.87
Arg457	−180.94	−177.45	−172.28	0.55	−173.44
Lys458	−183.71	−178.02	−180.58	16.51	−194.78
Ala475	−8.25	−13.97	−14.14	−11.37	−13.54
Gly476	−2.95	−5.42	−9.23	−4.46	−5.85
Lys478*	0.62	0.44	1.97	0.62	−186.29
Pro479	2.17	1.96	0.48	2.05	−22.12
Asn481	−0.40	0.07	−0.73	−0.19	24.70
Gly482	−0.016	−0.10	−0.23	0.14	21.26
Val483	−0.43	−0.21	1.08	−0.48	−22.49
Glu484*	212.50	199.02	−258.40	−226.64	0.11
Phe486	−23.92	−21.67	−19.56	−22.89	0.02
Asn487	−15.48	−13.38	−13.91	−14.37	0.01
Tyr489	−20.19	−13.38	−13.92	−13.80	−22.02
Gln493	−17.38	−32.23	−24.90	−37.76	21.20
Ser494	7.51	7.30	3.13	3.85	−20.27
Tyr495	−7.18	1.01	−8.16	−3.97	−23.16
Gln498	−18.37	−7.22	−6.77	−11.00	−0.17
Pro499	−0.46	1.12	0.80	−0.22	−25.50
Thr500	−19.23	−12.45	−11.26	−20.85	−0.31
Asn501*	−36.17	−23.25	−18.21	−30.65	−0.28
Gly502	−10.98	−13.63	−5.91	−7.90	−0.19