Fig. 3

Most similar charged and neutralized conformers superimposed onto the crystal conformation. a (PDB ID: W2X): superposition of the most similar charged conformer onto the crystal conformation, b (PDB ID: W2X): superposition of the most similar neutralized conformer onto the crystal conformation, c (PDB ID: OCV): superposition of the most similar charged conformer onto the crystal conformation, d (PDB ID: OCV): superposition of the most similar neutralized conformer onto the crystal conformation. Green crystal conformation, orange charged conformation, plum neutralized conformation