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. 2023 Nov 2;14:1280299. doi: 10.3389/fimmu.2023.1280299

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Copyright © 2023 Jiang, Han, Liu, Xue, Cheng, Xiao and Gong

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Tertiary structure prediction and optimization of the PP13138R vaccine. (A) and (B) Z score analysis of the tertiary structure prediction of the PP13138R vaccine before and after optimization. (C) and (D) Ramachandran plot analysis showing the ratio of core, allow, gener, and disall in the tertiary structure of the PP13138R vaccine before and after optimization. (E) Schematic representation of the tertiary structure predicted by the I-TASSER server in pink, and optimized by the Galaxy Refine server in blue. The tertiary structure of the PP13138R vaccine is shown before and after optimization to improve stability and binding ability. The color scheme of the structure indicates the pre-optimized model in pink and the post-optimized model in blue. The Z score and Ramachandran plot analyses demonstrate that the optimized PP13138R vaccine has improved quality compared to the pre-optimized structure. The red star is the z-score.