Table 1.

Binding energy contributions of top 12 residues of hACE2 domain of spike proteins. (Energies provided in kcal/mol with their mean values ± standard deviation).

hACE2
WT		N501Y		N501T
Residue	Energy	Residue	Energy	Residue	Energy
Y41	−5.54 ± 0.76	Y41	−4.38 ± 0.59	Y41	−5.25 ± 0.93
Q24	−4.92 ± 0.92	Q24	−3.78 ± 0.70	Y83	−4.29 ± 1.01
Y83	−2.10 ± 0.56	Q42	−3.51 ± 0.95	D38	−3.63 ± 2.01
T27	−2.00 ± 0.80	L45	−3.35 ± 0.52	K31	−3.2 ± 1.34
Q42	−1.68 ± 0.479	Y83	−2.46 ± 0.18	Q24	−3.15 ± 0.67
H34	−1.49 ± 0.66	L79	−2.45 ± 0.30	L79	−2.77 ± 0.20
L45	−1.39 ± 0.21	K31	−2.39 ± 1.55	L45	−2.27 ± 0.42
F28	−1.32 ± 0.34	F28	−2.21 ± 0.23	Q42	−2.18 ± 0.33
D38	−1.15 ± 1.02	T27	−2.20 ± 0.27	M82	−2.11 ± 0.35
L79	−1.06 ± 0.65	M82	−1.95 ± 0.28	F28	−1.98 ± 0.15
M82	−0.84 ± 0.26	D38	−1.14 ± 1.99	T27	−1.91 ± 0.28
K31	−0.75 ± 0.62	N61	−1.09 ± 0.96	H34	−1.01 ± 0.40
Sum	−24.2		−30.9		−33.8