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. 2005 May 20;89(2):842–857. doi: 10.1529/biophysj.105.061978

FIGURE 4.

FIGURE 4

Structural snapshots from the Cpep+ simulations. (a) Hydrogen bonds Glu2(Oɛ1)-Arg10(Hɛ) and Glu2(Oɛ2)-Arg10(Hη) in water at 277 K. (b) Hydrogen bond between Asn11(Oδ1)-His12(Hδ) in water at 277 K. (c) Hydrogen bonds Glu2(Oɛ1)-Arg10(Hη12) and Glu2(Oɛ2)-Arg10(Hη22) occurring simultaneously with the hydrogen bond Glu2(Oɛ2)-Lys7(Hζ) in water at 300 K. The color of the peptide changes from red at the N-terminus to blue at the C-terminus. This and following molecular images were created with the VMD program (89).