Fig. 3.

Snapshots of conformations sampled during the MD simulations of (A) furin-PRRARS (B) furin–RRKRRS complexes. The furin protein is shown as a cartoon (grey) and the bound peptides are shown as a cartoon (green), with the peptide-protein-interacting residues and hydrogen-bond interactions highlighted in sticks and dashed lines, respectively. The three catalytic residues (His194, Asp153, and Ser368) are colored pink. P1'S is labelled as S6 (For interpretation of the references to color in this figure legend, the reader is referred to the Web version of this article.)