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(A) RMSD of PknG Cα-atoms and Cyclo-(L-Pro-4-OH-L-Leu) over a 200 ns simulation. (B) RMSD for PknG Cα-atoms and the co-crystallized ligand (8ZC) over a 200 ns simulation. (C) RMSF per residue of PknG in complex with Cyclo-(L-Pro-4-OH-L-Leu). (D) RMSF per residue of PknG in complex with 8ZC ligand.
