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Illustration of rac5c's conformations inside the substrate-binding site of PLpro. (A–D) rac5c's conformations in the MD trajectory, at 100 ns (A), 200 ns (B), 300 ns (C), and 400 ns (D). rac5c is in the stick representation and PLpro is in the molecular surface representation. We provided pdb files for these complex conformations in the Supplementary Materials. (E) rac5c's coordination with nearby PLpro's residues. The key hydrogen bond is highlighted with a light-green oval.
