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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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(A) Distributions of differences in dihedral angles, Δψ (top panel) and Δφ (bottom panel), of residues from the 97^th to 126^th indices. The results of WT are shown in blue and turquoise, Y100qF in dark-violet, purple and plum, and Y100qA in red, orchid, and pink. (B) The locations and the corresponding indices of the residues showing large differences in the dihedral angles (Δψ, Δφ > 50°) from the WT(3) are represented as stick models and labeled with red letters (Gly^H97, Gly^H98, Asp^H100C, and Tyr^H100S). The residues composing the aromatic core are also shown as stick models and labeled with black (Tyr^H100N, and Tyr^H100Q) and red (Gly^H97) letters.