Skip to main content
. Author manuscript; available in PMC: 2008 Dec 5.
Published in final edited form as: J Am Chem Soc. 2006 Mar 22;128(11):3728–3736. doi: 10.1021/ja057216r

Figure 4.

Figure 4

Simulated and experimental helicity of (AAQAA)3. (a) Simulated helicity as a function of temperature; (b) Simulated and experimental residue helicity at 270 K; (c) Correlation of simulated and experimental residue helicity at 270 K for residues 1-11. The simulated residue helicity was computed using snapshots from 4-20 ns of the simulation. The experimental values was adopted from Table 3 of Ref.82 Note that the simulated helicity for residues 12-15 were not computed as the distance criteria dOi··HNi+4 ≤ 2.6Å was used.