Figure - PMC

Skip to main content

An official website of the United States government

Here's how you know

Here's how you know

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.

View full-text article in PMC

. 2021 May 11;12:2634. doi: 10.1038/s41467-021-22895-6

Search in PMC
Search in PubMed
View in NLM Catalog
Add to search

© The Author(s) 2021

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

PMC Copyright notice

Fig. 3 — a, b The computed supramolecular packing structure in the assemblies after 0.1 µs of room temperature dynamics of Pro-Phe-Phe (a) and Hyp-Phe-Phe (b). The balance between increased H-bonding and more flexible π–π contacts is quantified in the Pro-Phe-Phe vs. Hyp-Phe-Phe difference map in c. The distance corresponds to the distance between neighbouring phenyl rings and the angle to the angle between the same two rings, as described in the ‘Methods’ section. The density is the normalized histogram and is given as a percentage. The 2D histogram is built with a 200 × 200 matrix. H-bond distributions are plotted in d. Additional supporting MD data are provided in Supplementary Figs. 14–19 and Supplementary Table 8.