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. Author manuscript; available in PMC: 2020 Nov 19.
Published in final edited form as: FASEB J. 2020 Oct 4;34(12):15946–15960. doi: 10.1096/fj.202001808R

FIGURE 4.

FIGURE 4

Energetic modeling of residue-residue interactions identifies a link between ACE2 D30 and Y83 and SARS-CoV-2 susceptibility. Residue-residue interactions are calculated with Rosetta, using the co-crystal structure of the human ACE2 in complex with the SARSCoV-2-RBD (PDB: 6LZG and 6M0J) after backbone-constrained relaxation for all interactions greater than 0.05 Rosetta Energy Units (REU) or smaller than −0.05 REU. Interactions are presented as the mean for all included samples. Residues depicted on the y-axis are all observed amino acid identities for the particular position in its susceptibility group. (A) Per-residue interactions for (A) susceptible species (human, cat, lion, tiger, hamster, and rhesus macaque), (B) intermediate susceptibility species (pig, dog, and ferret), and (C) non-susceptible species (duck, mouse, and chicken). The arrows point to interactions that are not observed in non-susceptible species