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. 2022 Apr 6;12(4):540. doi: 10.3390/life12040540

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© 2022 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).

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Geometrically well-defined dinucleotides fit well into their electron densities. Real Space Correlation Coefficient (RSCC, horizontal axis) measures how closely the model electron density resembles the experimental density and rmsd (vertical axis) measures how closely the geometry of the model resembles the closest NtC class in the so called golden set [50]. NtC class BB00 (left) characterizes the B form, AA00 (center) A form in both DNA and RNA, and NANT (right) are all unclassified dinucleotides. Geometrically unclassified dinucleotides fit significantly worse to the electron density.