Table 1. Comparison of binding affinities for different PPIs.
PPI | Experiment Kd (nM) | EvoEF2 score (EEU) | |
Interface not repacked | Interface repacked | ||
SARS-CoV RBD/hACE2 | 325.8 [15] | -40.73 (2ajfAE) | -51.12 (2ajfAE) |
185 [21] | |||
SARS-CoV-2 RBD/hACE2 | 14.7 [15] | -49.95 (6m0jAE) | -55.67 (6m0jAE) |
44.2 [21] | -19.84 (6m17BE) | -30.50 (6m17BE) | |
-19.84 (6m17DF) | -30.50 (6m17DF) | ||
SARS-CoV-2 chimeric RBD/hACE2 | 23.2 [21] | -53.15 (6vw1AE) | -58.81 (6vw1AE) |
EEU stands for EvoEF2 energy unit.