Pairwise residue-residue Euclidean distances for a Histatin-5 ensemble

2023/10/18 by González-Delgado, Javier, Juan Cortés, Deronzier, Mathis +3
Biochemistry, Genetics and Molecular Biology · Computer Science · #Advanced Clustering Algorithms Research #Applications (stat.AP) #Bayesian Methods and Mixture Models #FOS: Computer and information sciences #FOS: Mathematics #Gene expression and cancer classification #Methodology (stat.ME) #Statistics Theory (math.ST)

paper · pdf · doi:10.48550/arxiv.2310.11822

openalex publication_date 2023/10/18 · openalex created_date 2023/10/21 · openalex updated_date 2026/08/01

Abstract

Pairwise residue-residue Euclidean distances for a pair of independent replicas of the protein ensemble Histatin-5. Each file corresponds to a n x p matrix, where n is the number of conformers and p is the number of pairwise inter-residue distances, that is, p = L(L-1)/2 where L is the number of sequence residues. Each row corresponds to a p-vector of distances featuring the corresponding conformation. Distances are computed between CB atoms (CA for glycines) and are given in Angstroms (Å). Conformations were generated using Flexible-Meccano (Ozenne et al. 2012, Bernado et al. 2005) and refined using previously reported small-angle X-ray scattering (SAXS) data (Sagar et al. 2021).

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