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. 2022 Apr 9;145:105509. doi: 10.1016/j.compbiomed.2022.105509

Table 1.

The infectivity change of mutant SARS-CoV-2 virus evaluated by MuCov pipeline and pseudotyped virus experiments.

Mutation BFEa of wild-type BFEa of mutation P-valueb Infectivity predicted by MutCov Infectivity verified by Experimentsd
V341I −1063.82 −968.03 2.43E-05 Decreasec Decrease
N343Q −1063.82 −954.17 1.53E-08 Decreasec Decrease
D364Y −1063.82 −1139.9 2.28 E−02 Increase Decrease
385-387del −1063.82 −580.49 9.05E-14 Decreasec Decrease
D405V −1063.82 −1404.58 1.21E-13 Increase Decrease
Q414P −1063.82 −952.87 2.68E-06 decreasec decrease
I434K −1063.82 −1140.21 2.98E-04 Increase Decrease
S438F −1063.82 −1056.02 1.65E-03 Decreasec Decrease
D467V −1063.82 −1066.04 0.80 Increase Decrease
P491R −1063.82 −1285.05 2.61E-11 Increase Decrease
V503F −1063.82 −905.23 1.91E-09 Decreasec Decrease
R509K −1063.82 −960.91 0.00348688 Decreasec Decrease
V510L −1063.82 −821.38 6.63E-14 Decreasec Decrease
P521S −1063.82 −945.07 1.61E-09 Decreasec Decrease
a

The binding free energy (kJ/mol) of RBD region of S protein (wild-type or mutant) binding to ACE2.

b

The p value of Wilcoxon rank-sum statistic for the binding energy change between wild-type and mutation.

c

The antigenicity predicted by MutCov show a consistent change with pseudotyped virus experiments.

d

The infectivity verified by pseudotyped virus experiments.