Figure 5.

Top scored locations for cathepsin S binding and cleavage of fibrinogen. (A) Molecular docking of cathepsin S on fibrinogen monomer with the α chain is in red, the β chain is in green, and the γ chain is in blue. Cathepsin S binds in various formations and each color indicates a different docking model (note there is some overlap with the model found in cluster location B and E). Structures used were PDB ID 3GHG (fibrinogen) and 4P6E (cathepsin S). (B) Predicted fibrinogen cleavage sites by cathepsin S from PACMANS and molecular docking models.