Pairwise residue-residue Euclidean distances for a Histatin-5 ensemble
González-Delgado, Javier, Deronzier, Mathis, Juan Cortés, Pierre Neuvial · arXiv (Cornell University) · 2023
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).