Figure 7
Movement of Phe243 aromatic ring during MD simulation. (a) Monitoring of the Phe243 dihedral angle N-Cα-Cβ-Cγ during the 100 ns MD simulation. A cartoon of the two “in” and “out” Asc-1 states describes the positions of Phe243. The “out” state corresponds to the outward-open (OO) Asc-1 state described in Fig. 1b while the “in” state corresponds to the “transition” state. (b) Superimposition of the three Asc-1 OO, OOO, “transition” states. Zoom on the different orientions of Phe243. TM1 and TM6 are colored in yellow and raspberry pink, respectively. TM6 including Phe243 is colored in darker pink in the “transition” state.
