Table 2.

Comparison of interface area, total number of interfacing residues, number of salt bridge making residues, number of hydrogen bond-making residues and number of hydrogen bonds at the wild-type spike/ACE2 interface and spike_N501Y/ACE2, spike_E484K/ACE2 and spike_South_Africa_triple (K417N + E484K + N501Y)/ACE2 interfaces obtained from HADDOCK protein-protein docking.

Interface	Interface area (Å2)	Total number of interfacing residues	Residues making salt bridges	Residues making H-bonds	Number of H-bonds
Wild-type Spike/ACE2 (control)	901.6	54	2	15	10
Spike_N501Y/ACE2	1027.3	66	6	21	14
Spike_E484K/ACE2	968.8	57	4	25	14
Spike_South_Africa_triple (K417N + E484K + N501Y)/ACE2	1026	62	–	20	11

The data in the table were generated using PDBePISA (Proteins, Interfaces, Structures and Assemblies) web server (https://www.ebi.ac.uk/pdbe/pisa/) and DS Studio v16, respectively.