Fig. 9. Intermolecular contacts between NCT, PS1 and Notch100 obtained from the top-ranked cluster. (A) Simulation 1. (B) Simulation 2. (C) Simulation 3. The hydrogen bonds (shown in magenta dotted lines) are displayed for clarity. The NCT residues interacting with substrate are labelled green, while PS1 is blue and Notch100 residues are orange. The interacting residues are shown in ball and stick format.
