Fig. 6.

Lipid enrichment around AQP1 in CG simulations. a View from the cytoplasmic side on the spatial density of CLs (purple) and PGs (green) around AQP1 tetramer (shown in gray cartoon). b Quantification of the lipid enrichment in the first solvation layer (i.e., within 0.65 nm) around AQP1 tetramer relative to the lipid population in the bulk. CL stands for cardiolipins, PG for phosphatidylglycerols, PE for phosphatidylethanolamines, CP for cytoplasmic layer, and EC for extracellular layer. The error bars indicate standard deviations of nine 1 μs intervals from 1 to 10 μs. c Cardiolipin binding probability per amino acid (white cartoon—no binding, purple cartoon—high binding) on a tetramer viewed from the side. The membrane is indicated by a gray square; the molecular surface of the individual chains in the front is colored yellow and teal. The cytoplasmic side is at the top and the extracellular on the bottom. d PG binding probability per amino acid visualized by a white-green scale (white cartoon denotes no PG binding). The coloring follows otherwise that in c