Structural and energetic profiling of SARS-CoV-2 receptor binding domain antibody recognition and the impact of circulating variants
Fig 4
RBD hydrogen bond contacts of SARS-CoV-2 antibodies.
Hydrogen bonds to RBD residue side chains were calculated for all antibody-RBD complexes using the hbplus program [51]. Each hydrogen bond contact is colored by number of hydrogen bond interactions, as indicated on the key, and RBD positions are ordered by hierarchical clustering based on hydrogen bond profile similarities, with corresponding dendrogram shown at top. Antibodies (rows) are ordered and clustered as in Fig 2, based on the RBD contact profile similarities, and RBD hydrogen bond contacts with ACE2 (PDB code 6LZG) are shown in the top bar. RBD residues that are mutated in SARS-CoV-2 variants of concern (K417, E484, N501) are labeled at bottom and highlighted with gray boxes in heatmap.