Fig. 3. Simulated distributions of 5FN2 derived CG model in POPC bilayer projected onto (1) the distance between the catalytic residues (Asp257 and Asp385) and (2) the calculated TM2, TM6, TM7 and TM9 tilt angles in the (A) unprotonated and (B) Asp385 protonated states. The black triangles depict the values of dd_Asp and T _TM angles obtained from the experimental structures of γ-secretase (PDB IDs: ; 5A63, ; 4UIS, ; 5FN2, ; 5FN3, ; 5FN4 and ; 5FN5).