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. 2021 Jun 17;10(6):765. doi: 10.3390/pathogens10060765

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© 2021 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).

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Presumptive binding of HuscFvs to LasB as predicted by computerized homology modeling and intermolecular docking. (A) LasB-HuscFv-N42 and (B) LasB-HuscFv-N45. Left panels of (A,B) show the presumptive interface contacts between the LasB (light brown) and the HuscFvs (green). Both antibodies interact with the LasB near or in the active/catalytic site. Right side of (A,B) shows contact residues of LasB with HuscFvs-N42 and HuscFv-N45, respectively. The LasB amino acids are colored according to the CINEMA color scheme: polar negative D and E, red; polar positive H and R, blue; polar neutral S, T, and Q, dark green; non-polar aromatic W and Y, magenta; and non-polar aliphatic I, white (grey in B, right panel).