Figure 4.

Detailed analysis of the assembly process of two tetrameric β-sheets into β-barrel induced by SWNT (3,3) surface. Black curves display run 9, whereas red curves online (or gray curves in print) are the averaged properties using runs 9–19 for A–D and runs 9–18 for E and F. Time evolution of: (A) total Rg and Rg-HP of the octamer; (B) number of intersheet backbone H-bonds (solid line: between strands e and d; dotted line: between strands a and h); (C) number of intrasheet backbone H-bonds; (D) backbone RMSD of the octamer with respect to the β-barrel structure generated at 10 ns; (E) angle θ₁; and (F) angle θ₂. (G) Six representative snapshots of SWNT(3,3)-Aβ octamer in run 9.