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. 2017 Nov 10;7:15287. doi: 10.1038/s41598-017-12659-y

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© The Author(s) 2017

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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Structure analysis of TlXyn11B and its mutants S3F and S3F/D35I. (a) The RMSD values determined by the MD simulation. (b,c,d) Structure alignment of the five frames (one frame per ns in the last 5 ns) of TlXyn11B, S3F, and S3F/D35I, respectively. (e,f,g) Local interactions of TlXyn11B, S3F, and S3F/D35I predicted by the Ring web server. The salt bridges, hydrogen bonds and Van der Waals’s interactions are indicated by blue, green and gray lines, respectively.