Fig. 4.

CRD movements and interactions with the LD and TMD. (A) Comparison between the computed SMO structure at 340 (white) and 360 ns (dark gray). (B) A representative CRD helix showing the relative positions of the computed structures (340 ns, light gray; 360 ns, dark gray), inactive (PDB 5L7D, light pink; PDB 5V57, dark pink), and active (PDB 6XBL, green; PDB 6O3C, blue) experimental structures. (C) Exchange of salt bridges between the CRD and residues in the TMD and LD during CRD motion. (D) Weakening of an interaction between D209^LD and R159^CRD and breaking of the interaction at E160^CRD and R485^6.66 between the initial (0 ns, light gray) and final structure (370 ns, dark gray). (E) Comparison of CRD-cholesterol interactions between the initial (0 ns, light tint) and final structure (370 ns, dark tint).