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(a) Chlorine anion, Cl−, spontaneously binding from the bulk solvent to the positively charged W377·+ residue, as seen in MD simulation. The binding of Cl− is characterized by the hydrogen bond length dion which has been analysed for three redox states of the cryptochrome active site: FAD + W400 + W377 (b), [FAD·− + W400·+] (c), and FAD·− + W377·+] (d).
