Fig. 6. Analysis of the active site plasticity of 333 Mpro co-crystal structures. Active site residues (residues 19, 21, 23–27, 41, 45, 46, 49, 54, 67, 69, 119, 121, 140–145, 163–168, 172, 181, 187–192) were chosen based on the MD analysis of the 11 substrate–Mpro models and correspond to all Mpro residues that contact any substrate. The violin plots show the distributions of per-residue heavy atom RMSD values between the 333 Mpro–ligand co-crystal structures53 and a reference uncomplexed structure (PDB 6yb7).10 Each Mpro subsite is colour-coded.
