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. 2015 Aug 28;11(10):4943–4958. doi: 10.1021/acs.jctc.5b00728

Figure 5.

Figure 5

Stable 2×2 GC/CG conformations flanked by 1×1 UU base pairs. (A) GC base pairs in canonical Watson–Crick base pair forms. (B) One of the GC base pairs is distorted and loses a hydrogen-bond. In this form, the −NH2 group of guanine forms an attractive electrostatic interaction with the 2′-OH group of cytidine. (C) Both GC base pairs are distorted and lose one hydrogen-bond each. Both GC base pair conformations are in the distorted GC form described in B. The distortions happen only when the flanking 1×1 UU base pairs are both in the 2 hydrogen-bond but opposite symmetry states (see Movie S2).