Figure 3.

Detailed analysis of a representative MD trajectory of hIAPP adsorption to POPC bilayer surface, starting from the initial state S(0). (a) Snapshots at t = 0, 12, 40, and 120 ns. Each snapshot is displayed using the same representations as those used in Figure 1. (b) Time evolution of the number of contacts and the number of H-bonds between hIAPP peptide and the POPC lipid bilayer. (c) Time evolution of z-position and interaction energy between lipid bilayer and the negatively charged residues K1 (black) and R11 (red). The solid and dashed lines correspond to z-position and interaction energy, respectively. We only present the data of first 50 ns in order to show the initial adsorption process clearly.