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. 2018 Oct 22;8:15580. doi: 10.1038/s41598-018-33984-w

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© The Author(s) 2018

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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Absorption wavelength prediction results for KR2 wildtype and its 118 variants. (a–d) Absorption spectra of KR2 mutants ((a) KR2 NTQ/F72G, (b) D116N, (c) N112E, and (d) DTD/D102N) with their absorption maxima as predicted by ML analysis (green lines) and experimentally determined (blue lines). The spectrum of KR2 wildtype is indicated by the solid grey line. (e) The horizontal axis represents the experimentally observed absorption wavelengths, whereas the vertical axis represents the absorption wavelengths predicted by the ML model. The red points indicate the KR2 group rhodopsin proteins in the target set, whereas the black points indicate other rhodopsin proteins in the training set. (f) Histogram of the prediction errors for KR2 group proteins in the target set.