Unifying Constraints Linking Protein Folding and Native Dynamics Decoded from AlphaFold

View at publisher
Authors: Zecheng Zhang, Weitong Ren, Liangxu Xie, Yuxiang Zheng, Xingyue Guan, Jun Wang, WenFei Li, Qian-Yuan Tang
Cited by: 5
References: 92

Abstract

The interplay between protein folding and native dynamics remains a central question in biophysics. Analyzing an extensive set of AlphaFold-predicted structures, we uncover a robust relationship between folding topology (contact order) and native dynamics (fluctuation entropy), showing that long-range contacts that slow folding also restrict conformational flexibility across protein sizes and taxonomic groups. Scaling analysis reveals that this relationship, together with its chain-length dependence, is consistent with power-law-like trends, reflecting common organizing constraints of protein architecture. Across species, increasing organismal complexity is associated with proteome-wide shifts toward lower contact order and higher fluctuation entropy. Together, evidence from folding, stability, and functional dynamics converges on unifying constraints, revealing an intrinsic physical organizing principle captured by AI models.

Fields of Study & Subjects

Protein Structure and Dynamics Enzyme Structure and Function Biochemical and Structural Characterization

Publication details

Journal / source
Physical Review Letters
Publisher
American Physical Society (APS)
Volume
136
Issue
6
Pages
068401–068401
Publication date
20 January 2026
Language
EN