Docked poses for C5 (panel A) and the five C5 derivatives with the highest predicted affinities (panels from B to F) at the 3C45 binding site.

<p>All of the panels in this figure and in <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0044971#pone-0044971-g008" target="_blank">Figure 8</a> are in the same relative orientation to allow for easier comparisons between the predicted poses. Residues at the DPP-IV binding site are colored by the same criteria described in <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0044971#pone-0044971-g008" target="_blank">Figure 8</a>. Dashed lines are used to show intermolecular hydrogen bonds.