Fig. 8. Interactions between NCT, PS1 and C83 obtained from ensemble-representative cluster structures. (A) Simulation 1. (B) Simulation 2. (C) Simulation 3 (NCT: green; PS: blue; and C83: salmon). The hydrogen-bonds (shown in magenta dotted lines) are displayed for clarity. The NCT residues interacting with substrate are green, while PS1 is blue and C83 residues are orange. The interacting residues are shown in ball and stick format.
