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Distortion of the A-type helix H4. (A) A snapshot from the end of the OMe/G8/A38H+ simulation shows a ‘ladder-like’ conformation of helix H4 (red), with a more detailed view in panel (B), which we consider a force field artifact. (C) Time evolution of the glycosidic dihedral χ profile of nucleotide G33 inside the H4 RNA stem during simulation OMe/G8/A38H+. Formation of a ‘ladder-like’ stem structure is accompanied by a shift of χ above −90°.
