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. 2023 Jun 6;12(6):824. doi: 10.3390/biology12060824

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© 2023 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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Key interactions of PG16 residues K100F and D100L. (A) Intermolecular interaction of K100F with D167 of gp120 (black dotted line). In addition, the intramolecular sY100H-K100F interaction is indicated by a white dotted line. (B,C) Shortest distance between the K100F ammonium group and the D167 carboxy group in (B) TYS-PG16 and (C) TYR-PG16 (run1, blue; run2, orange). Explicit values are highlighted as dots and running averages are shown as lines. (D) Interaction of D100L with R170 of gp120. (C,D) Shortest distance between the D100L carboxy group and the R170 guanidino group in (E) TYS-PG16 and (F) TYR-PG16 (run1, blue; run2, orange).