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. 2021 Apr 22;12:2387. doi: 10.1038/s41467-021-22636-9

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© The Author(s) 2021

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Fig. 2 — a Profile of stable amino acid residue-nucleotide contacts during the first microsecond of simulations plotted for the left half of the nucleosomal DNA. Individual histone residues are labeled on top of each bar. Residues that formed stable contacts for the entire 15 µs trajectory are shown in black frames. b Changes in the number of DNA-histone atom-atom contacts along MD trajectory. c The average number of histone-DNA atom-atom contacts classified by interacting entities: histone core or tail parts, DNA phosphates, sugars or bases.