Computational Study on the Inhibitor Binding Mode and Allosteric Regulation Mechanism in Hepatitis C Virus NS3/4A Protein
Figure 6
Structural models and per-residue interaction spectrums of the residues of (A–B) HCV NS3/4A protein and (C–D) its truncated protein with the allosteric inhibitor.
The representative structures extracted from the simulation trajectories were used. The proteins are shown in cyan cartoon. The inhibitor is shown in gray stick model. The residues with an absolute value larger than 0.5/mol for the inhibitor-residue interactions are shown.