pLDDT Values in AlphaFold2 Protein Models Are Unrelated to Globular Protein Local Flexibility

Oliviero Carugo

doi:10.3390/cryst13111560

Titel

pLDDT Values in AlphaFold2 Protein Models Are Unrelated to Globular Protein Local Flexibility

Autor*in

Department für Strukturbiologie und Computational Biology (bis 2023-12-31), Zentrum für Molekulare Biologie (bis 2023-12-31), Universität Wien

Abstract

Two non-redundant, high-quality sets of protein X-ray crystal structures from the Protein Data Bank (room temperature, 288–298 K, and low temperature, 95–105 K) were compared to structural predictions conducted using ColabFold/AlphaFold2. In particular, the relationship between B-factors and pLDDT values, which estimate the degree of prediction confidence, was investigated. It was observed that there is basically no correlation between these two quantities and, consequently, that the level of confidence in predictions does not provide information about the degree of local structural flexibility of globular proteins.

Stichwort

AlphaFoldB-factorColabFoldpLDDTprotein data bank

Objekt-Typ

journal article

Sprache

Englisch [eng]

Persistent identifier

phaidra.univie.ac.at/o:2090091

DOI

10.3390/cryst13111560

Erschienen in

Titel