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. 2012 Mar 8;8(3):e1002429. doi: 10.1371/journal.pcbi.1002429

Figure 6. One of the predicted binding modes of the DLG1-PDZ2 domain in complex with the E6 peptide based on our MD simulations.

Figure 6

The peptide interacts with the Inline graphic binding loop via two hydrogen bonds, involving the backbone oxygen of Inline graphic with the side chain of Inline graphic and the side chain of Inline graphic with the backbone nitrogen of Inline graphic. These two interactions occur simultaneously for 22% of the simulation time.