Docking cholesterol to integral membrane proteins with Rosetta
Fig 5
Cholesterol interaction site specificity score calculation.
(A) Global docking energy landscape. (B) Cartoon representations of top query sites in each cluster. (C) Rate of evolution calculation of query binding sites. Surface residues are colored gray, and the query pockets are colored based on the stars in (A). (D) Buried Area (A2) of query pockets. (E) Cartoon illustration of query site pockets. (F) Residue-cholesterol 1-D fingerprints of the query pockets and percent similarity quantification. (G) Hydrophobicity of query pockets with percent similarity quantification. (H) Bulkiness of query pockets with percent similarity quantification.