Figure 4

Dynamic modules in the Niemann-Pick disease, type C1 protein. Modules recovered by the method in a molecular dynamics simulation of the The Niemann-Pick disease, type C1 (NPC1; PDB code: 3GKH) protein with cholesterol (Licorice-type structure) bound. The arrows in sub-figure C point to the water (black arrow) and sterol (gray arrow) openings, described in [44]. The list of the equivalences of residues in each module can be seen in Additional file 1 (S86, p. 579). The images were rendered using VMD [71] and POVray ( http://www.povray.org). Panels A-F show the individual modules inferred.