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Table 3 CLUSpro binding energy and interacting residues between antibody and spike protein

From: Insights on the interaction of SARS-CoV-2 variant B.1.617.2 with antibody CR3022 and analysis of antibody resistance

Models

CLUSpro energy

Interacting residues within 2.7 Å

SARS-CoV-2 SP

CR3022

Model 1

 − 71.9

ASP427, GLN414, LYS378, TYR369

ASP54, TYR27, GLU56, LYS73

Model 2

 − 99.7

LYS528, ASN370, PHE374, ALA372

TYR52, GLU56, TYR27D, TYR92, SER27E, SER27E, ASP54

Model 3

 − 74.4

ASP427, GLN414, LYS378, TYR369

SER27F, TYR27D, GLU56, ASP54, LUS73

Model 4

 − 74.7

ASP427, GLN414, LYS378, TYR369

SER27F, TYR27D, GLU56, ASP54, LYS73

Model 5

 − 71.0

ASP427, GLN414, LYS378, TYR369

SER27F, TYR27D, GLU56, ASP54, LYS73

Model 6

 − 72.9

LYS444, ARG452, GLU471

TYR92, TYR27D, SER99, ASP54, GLU56, LYS73, TRP47