Abstract
Abstract The CpA step is dramatically overwound in several B-DNA oligonucleotide crystal structures and its AT pair is substantially shifted towards the cytosine of the preceding base pair and towards the minor groove. We show using a geometrical analysis of the crystal data and empirical potential calculations that a strong interaction between the guanine amino group and the adenine six membered ring is responsible for the unique conformational properties of the CpA step.
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