Data for "Comparing protein conformational ensembles across sequences and lengths"

Data for the paper "Comparing protein conformational ensembles across sequences and lengths" (Hyeonsu An; manuscript). framedchain_paper_data.tar holds the summary tables behind every number in the text (results/), the per-domain statistics (derived/), the generated aSAMt and AlphaFlow ensembles, the domain and pair lists, and the time-stamped records, in which the decision rules of the pre-specified analyses were fixed before they were run, with the 101 retained Google Drive versions of the first record. MANIFEST_data.tsv gives the md5, size and group of every packed file. prespecification_document_versions.zip holds the three surviving versions of the pre-specification document. The dates in the file names of the records are Korea Standard Time (UTC+9); the times inside the records and in the paper are UTC. Public inputs (mdCATH, ATLAS, CATH, RCSB PDB, SIFTS and the other sources listed in the paper), and the structures and tables taken from ATLAS (CC BY-NC 4.0), are not redistributed; EXCLUDED_public.tsv lists the files that were used by name and size, with the md5 of the files that are not simulation data, so that the same files can be identified. The scripts that produced and read these files are in the companion repository framedchain-paper (version 1.3.1, doi:10.5281/zenodo.23911400; docs/DATA.md describes every file, docs/RESULTS_MAP.md maps each result to its script and file), and the method is implemented in the Python package framedchain (version 0.4.3, doi:10.5281/zenodo.23911383).