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. 2021 Jul 15;12:698365. doi: 10.3389/fmicb.2021.698365

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Copyright © 2021 Tsai, Lee and Tseng.

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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The mutational binding stabilities of RBD variants interacting to MR17 sybody. (A) The molecular interactions of SARS-CoV-2 RBD with MR17 sybody analyzed by ligplot. The chains A and B correspond to MR17 sybody and RBD, respectively. (B) The heatmap of interactive residues of RBD derived from the calculated mutational binding stabilities by using Discovery Studio 3.5 (DS), Mutabind2, FoldX, and mCSM-PPI2. The boxes of each mutations were colored with the gradient of a range between blue (stabilized binding) and red (destabilized binding). In all panels, the solid and hollow circles represent significant and moderate decreases of the binding stabilities, respectively.