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Structure of PGB1-QDD with all charged side-chain groups explicitly shown prepared from the Protein Data Bank file 1PGB (42). Carboxyl groups are black and lysine residues are red. pKa differences compared to model values are indicated in the backbone where red indicates upshifted and blue downshifted. The mutated residues were modeled into the structure using Swiss model (43) and the figure was prepared using MOLMOL software (44).
