Table 2.

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

Spike protein (RBD)
WT		N501Y		N501T
Residue	Energy	Residue	Energy	Residue	Energy
Y505	−5.97 ± 0.32	Q493	−9.07 ± 1.71	F486	−5.46 ± 0.75
F486	−3.30 ± 0.66	Y501	−5.82 ± 1.55	Y489	−4.8 ± 0.32
Y449	−3.00 ± 1.70	Y449	−5.23 ± 0.75	Q498	−4.71 ± 0.54
G476	−2.98 ± 1.72	F486	−5.21 ± 0.50	Y449	−3.8 ± 0.83
N501	−2.79 ± 0.64	Y489	−4.99 ± 0.44	Q493	−3.51 ± 0.38
Y489	−2.36 ± 0.47	S494	−4.09 ± 1.95	V445	−3.18 ± 0.59
N487	−2.09 ± 1.07	V445	−3.59 ± 1.50	Y505	−2.82 ± 0.97
F456	−1.99 ± 0.30	L455	−2.99 ± 0.37	F456	−2.76 ± 0.25
A475	−1.73 ± 0.94	F456	−2.46 ± 0.24	L455	−2.59 ± 0.59
S477	−1.72 ± 1.13	Y505	−2.12 ± 0.52	S494	−1.97 ± 0.29
V445	−1.58 ± 1.05	Y495	−1.99 ± 0.40	N487	−1.95 ± 0.91
Q498	−1.48 ± 0.39	G496	−1.66 ± 0.64	T501	−1.73 ± 1.52
Sum	−31.0		−49.2		−39.3