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. Author manuscript; available in PMC: 2016 Oct 6.
Published in final edited form as: Biochemistry. 2015 Oct 6;54(39):6029–6037. doi: 10.1021/acs.biochem.5b00622

Figure 1.

Figure 1

(a) Schematic representation of the G→A crystal structure (PDB 1cag18) with Ala residues highlighted as red VDW balls; (b) the distributions of bend angles, θ (shown in (c). The dashed line indicates the angle of 175° and 177° calculated from crystal structure of (POG)10 (PDB 1v7h25) in black and G→A peptide in red, respectively. (c) MD selected snapshots corresponding to three bend angles (~180° in blue, ~160° in red, and ~145° in yellow) for the G→A peptide. (d) Ramachandran plot (ϕ,ψ) from the MD trajectories. Warmer colors represent higher populations.