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. 2019 Dec 27;9:19840. doi: 10.1038/s41598-019-56154-y

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© The Author(s) 2019

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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Time sequences of the RMSDs of the main-chain atoms from the crystal structure in (A–C) the whole F_V domain, (D–F) the non-CDR-H3 V_H domain, and (G–I) the CDR-H3. The blue, turquoise, and light-turquoise represent the WT trajectories, dark-violet, purple, and plum represent Y100qF trajectories, and red, orchid, and pink represent Y100qA trajectories, respectively. In (A–C), the RMSDs were calculated after fitting the main-chain atoms of the whole F_V domain to the reference crystal structure. In (D–F) and (G–I), the RMSDs were calculated after the least squares fitting for the main-chain atoms of the non-CDR-H3 V_H domain.