pydangle top100: Per-residue backbone geometry for 106 quality-filtered protein chains from the original Richardson Lab reference dataset
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Per-residue backbone geometry (phi, psi, omega, tau), Ramachandran classifications at four granularities (6/5/4/3-class), DSSP secondary structure, peptide bond type, and chirality for 17,434 quality-filtered protein residues from 106 chains in 98 high-resolution protein structures. Computed using pydangle-biopython v0.5.1 on "ersatz" full-structure PDB files with NQH flip corrections from Reduce 4.16. Source data from the Richardson Lab Top100 reference dataset, the original quality-filtered set used for foundational NQH flip correction work (Word et al., 1999, doi:10.1006/jmbi.1998.2401). Residue-level filtering by mainchain B-factor <= 40, matching the original Top100 methodology (the larger Top500/Top8000 datasets use the stricter B <= 30 threshold). See README.md for full methodology.



