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

. 2025 May 15;65(10):5205–5215. doi: 10.1021/acs.jcim.5c00549

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

© 2025 The Authors. Published by American Chemical Society

This article is licensed under CC-BY 4.0

PMC Copyright notice

(A) Percentage of correctly predicted sites in CLESs featuring large rearrangements of the MBS. The performance of the three best predictors, each shown in a different color, is computed as the percentage of correctly identified sites over the structures in each CLES. Five different CLESs characterized by a high spread of side chains were selected. (B) Violin plot of CLES 18431. The site of this cluster consists of 4 cysteines, whose donor atoms are the Sγ atoms. (C) View of the 3D structure of the sites in CLES 18431. This panel shows the spread of side chains for three different apo-sites belonging to CLES 18431. Each apo-site is represented by a different color.