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. 2021 Mar 2;11:4977. doi: 10.1038/s41598-021-83696-x

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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 licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence 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 licence, visit http://creativecommons.org/licenses/by/4.0/.

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(A) Time dependence of the root mean square deviation and (B) Radius of gyration calculated for Cα atoms. WT, G73W and F432S are shown in black, green and red, respectively. (C) Two-dimensional root mean square deviation (2D-RMSD) plots calculated for Cα atoms as a function of the simulation time. The plots are color-coded according to RMSD values (nm).