Journal Articles Journal of Structural Biology Year : 2022

Statistical proofs of the interdependence between nearest neighbor effects on polypeptide backbone conformations

Abstract

Backbone dihedral angles ϕ and ψ are the main structural descriptors of proteins and peptides. The distribution of these angles has been investigated over decades as they are essential for the validation and refinement of experimental measurements, as well as for structure prediction and design methods. The dependence of these distributions, not only on the nature of each amino acid but also on that of the closest neighbors, has been the subject of numerous studies. Although neighbor-dependent distributions are nowadays generally accepted as a good model, there is still some controversy about the combined effects of left and right neighbors. We have investigated this question using rigorous methods based on recently-developed statistical techniques. Our results unambiguously demonstrate that the influence of left and right neighbors cannot be considered independently. Consequently, three-residue fragments should be considered as the minimal building blocks to investigate polypeptide sequence-structure relationships.
Fichier principal
Vignette du fichier
stats_AA_interdep_Gonzalez-Delgado_2022.pdf (782.3 Ko) Télécharger le fichier
Origin Files produced by the author(s)

Dates and versions

hal-03826233 , version 1 (24-10-2022)

Identifiers

Cite

Javier González-Delgado, Pau Bernadó, Pierre Neuvial, Juan Cortés. Statistical proofs of the interdependence between nearest neighbor effects on polypeptide backbone conformations. Journal of Structural Biology, 2022, 214 (4), pp.107907. ⟨10.1016/j.jsb.2022.107907⟩. ⟨hal-03826233⟩
109 View
103 Download

Altmetric

Share

More