Figure 4
The NtC conformer AB02 is locally stable despite its extremely low ∊ value of ∼60°. (a) The AB02 step DG105–DG106 of chain P from the crystal structure with PDB code 4fj7 (Xia et al., 2013) is highlighted in green in cartoon representation and is enlarged in the inset on the right. (b) A scan of the potential energy of the step modelled as an isolated dinucleotide with charge −2 is shown on the top right; the ∊ torsion was scanned between 30 and 80°. Quantum-mechanical calculation of the stability of AB02 is detailed in the Supporting Information. |