Figure 3.

Water wire lifetimes for the continuous hydrogen bonded water wire that connects the zinc-bound water/hydroxide and the protonated/unprotonated N_δ of His64. (A) Water wire lifetime distribution for WT-ZnH₂O²⁺-His in the “in” orientation (black no fill), WT-ZnH₂O²⁺-His in the “out” orientation (black with black fill), WT-ZnOH⁺-HisH⁺ in the “out” orientation (red with red fill). (B) Water wire lifetime distribution for Y7F-ZnH₂O²⁺-His in the “in” orientation (black no fill), Y7F-ZnH₂O²⁺-His in the “out” orientation (black with black fill), Y7F-ZnOH⁺-HisH⁺ in the “out” orientation (red with red fill).