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. 2021 Apr 27;9(5):432. doi: 10.3390/vaccines9050432

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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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Dominant conformations of the middle 4 repeating units of the 6 RU O-Ag chains for S. flexneri: (a) Sf Y, (b) Sf 6n, (c) Sf 6, (d) Sf 6-3Ac, and (e) Sf 6-4Ac. The relative occupancies of the conformational clusters (excluding the initial 200 ns of equilibration) are shown as percentages with clusters less than 6% not shown. The color scheme is as follows: blue for Glc and GlcNAc; purple for Rha; yellow for Gal, GalA, and GalNAc; green for the COOH group of GalA; red for the O-acetyl groups.