Table 3.
Interface area of the complexes (the half of the sum of solvent-accessible areas of spike and ACE2 minus solvent-accessible area of the complex) and number of hydrogen bonds, calculated as average over the MD simulations.
Complex | Interface area (Å2) | Number of hydrogen bonds |
---|---|---|
Wild | 1013.7 ± 65.6 | 7.95 ± 2.04 |
N501Y | 1008.2 ± 85.1 | 6.05 ± 2.00 |
E484K | 1068.3 ± 68.1 | 9.81 ± 2.64 |
Spike_South_Africa_triple | 1215.3 ± 136.7 | 7.87 ± 2.82 |