Figure 2.

Conformations of the Mpro provided at the DockThor-VS web server as representative structures of the protein flexibility. The protein complexed structure with a covalent inhibitor is coloured blue (PDB code 6LU7, the ligand is not shown) and the structure initially complexed with a non-covalent inhibitor is coloured green (PDB code 6W63). The protein–ligand hydrogen bonds are represented as yellow dashed lines.