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. Author manuscript; available in PMC: 2009 Nov 13.
Published in final edited form as: J Phys Chem B. 2008 Oct 21;112(45):14124–14131. doi: 10.1021/jp804512f

Figure 2.

Figure 2

Figure 2

Superposition of the optimized structures using the AM1 (in yellow) and the X-Pol potential (a) for a beta-turn conformation, and (b) for an extended linear configuration of the sequence Ala-Gly-Leu-Phe-Ser. The C-terminus is capped with the peptide unit ‒C(O)NH(CH3); and the N-terminus is capped with ‒NHC(O)CH3.