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. 2021 Sep 8:1–12. doi: 10.1080/07391102.2021.1975569

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