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Key contacts at the PAII and CMG2 binding interface. (a–c) Snapshots of a salt bridge formed between Arg-344 of PAII and Glu-122 of CMG2. Formed hydrogen bonds are represented as dotted black lines. (d) The interaction energy between Arg-344PA and Glu-122CMG2 and the distances of two hydrogen bonds formed between the residues. (e) Number of water molecules within 2.5 Å of the two oxygen atoms on the side chain of Glu-122CMG2 or the unprotonated nitrogen of His-121CMG2.
