遇见数据集

pydangle top2018 MC: Per-residue backbone geometry for 13,677 mainchain-filtered protein chains

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Zenodo2026-03-15 更新2026-05-29 收录
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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 2,963,303 quality-filtered protein residues from 13,677 chains in 13,308 high-resolution, low-redundancy 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 top2018 dataset (Williams et al., 2021, doi:10.1002/pro.4239), mainchain-filtered, 70% homology, 60% completeness. See README.md for full methodology.

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Zenodo
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2026-03-15
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