Figure 3.

Lipid Density and Thickness

(A) Lipid (phosphate particle) probability density in the extracellular leaflet around Aqp0 (3M9I) from the CG self-assembly simulation. The density is compared with the positions of the lipids resolved in the two-dimensional crystal, for which the phosphorus atoms of the resolved lipids are shown as black spheres.

(B) The thickness of the lipid bilayer around Aqp0, from the simulation of 3M9I with DSPE. The DSPE bilayer can be seen to thin substantially in the vicinity of the protein, from ∼50 to 35 Å.

(C) A snapshot of the 3M9I Aqp0 CG simulation at 1 μs compared with phosphate particles within 6 Å shown in red spheres. The phosphate atoms captured in the EM structure are shown in black spheres.

See also Figure S3.