Figure 5.

Proton transfer events at the membrane surface. (a) Comparison between the cumulative number of transfer events on the surface (three representative trajectories) and in the water phase (shaded). For convenient comparison, the latter is shown multiple times, shifted 5 ns along the x axis. (b) The correlation between proton transfer rate and lipid-hydronium hydrogen bonds. The correlation is most clear when the number of lipid-hydronium hydrogen bonds reaches its maximum, which is accompanied by almost absent proton transfer (plateau regions). The result of a 0.5-ns median of the lipid-hydronium hydrogen bonds, used for further analysis, is shown. For clarity, only 20 ns are displayed.