Fig. 10.

The path traced by averaged EC hubs, starting from the allosteric ligand towards the catalytic residue. The protease is depicted by a cartoon representation onto which the averaged EC hub residues are overlaid as sphere representations, together with the non-hub catalytic residues HIS41 and CYS145 (circled in orange). EC persistent hub residues are circled in black; the alternate path is circled in blue; and the one triggered by the binding of all ligands is circled in green. One of the compounds is also shown in stick figure representation, as an example. (For interpretation of the references to colour in this figure legend, the reader is referred to the web version of this article.)