Figure 3.

Per residue Time-Averaged Cholesterol Contacts with SMO

(A) Zoom-in on the putative TM2/3e cholesterol binding pocket with binding site residues labeled and depicted as spheres, colored from white (no contact) to green (high contact) according to the mean number of contacts formed with cholesterol.

(B) Global view of the mean number of cholesterol contacts for each residue of the protein, with the standard deviation (n = 8) denoted by black error bars. The linker domain and transmembrane helices are delineated by magenta and blue boxes. Contacts were calculated using a 6 Å distance cutoff to define “contact”, based on the radial distribution function for CG Martini lipid-protein interactions.