Table 1.
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 |
The binding free energy (kJ/mol) of RBD region of S protein (wild-type or mutant) binding to ACE2.
The p value of Wilcoxon rank-sum statistic for the binding energy change between wild-type and mutation.
The antigenicity predicted by MutCov show a consistent change with pseudotyped virus experiments.
The infectivity verified by pseudotyped virus experiments.