Figure 4.

Conformation of three-fold models. Aβ_1–40 (a) initial conformation and (c) final conformation after 200 ns of molecular dynamics; the above packing model extended to Aβ_1–42, (d) initial conformation and (f) final conformation after 200 ns of molecular dynamics; Aβ_1–42 three-fold model with our proposed packing, (g) initial conformation and (i) last conformation after 200 ns of molecular dynamics; the same three-fold model, but for Aβ_11–42, (j) initial conformation and (l) last conformation after 200 ns of molecular dynamics. The corresponding side chain packing of the initial conformations are also shown in detail in (b,e,h,k).