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Structure of AG7088 (yellow) is modeled into structure of SARS-CoV 3CLpro by superimposing on the cocrystal structure of hexapeptide Ser-Gly-Val-Thr-Phe-Gln (magenta, the P6–P1 fragment). The close contact distances are computed in MGLTOOLS with a van der Waals radius factor of 1.0. Those residues that can contribute major steric effects (d < 2.0 Å) to AG7088 model are labeled in red.
