TABLE 1.
Identified interface residues | |
---|---|
ACE2 protein | S19, T20, I21, E23, Q24, K26, T27, F28, D30, K31, H34, E35, E37, D38, Y41, Q42, L45, L79, M82, Y83, T324, Q325, G326, E329, N330, K353, G354, D355, R357, A386, A387, R393 |
SARS‐CoV‐2 S‐protein | R403, D405, E406, K417, Y421, N437, N439, V445, G446, G447, Y449, Y453, L455, F456, Y473, A475, G476, S477, E484, G485, F486, N487, Y489, F490, L492, Q493, S494, Y495, G496, Q498, P499, T500, N501, G502, V503, G504, Y505, Q506 |
Note: Interface residues (IRs) are identified as residues with BSA values higher than a threshold set at 1.5 Å2. The set of IRs identified by IRAA consists of 32 residues of ACE2 and 38 residues of S‐protein. IRs in black bold are common in both, output of IRAA and that are previously reported in the literature (Ali & Vijayan, 2020; Lan et al., 2020), while the rest of the IRs printed in italics are identified by IRAA as the extended members of the interface through a collective analysis of all structures.