DPCstruct Metaclusters

⬡ Domain Classification in Structural Space
Properties CATH SCOP

The DPCstruct pipeline applied the Density Peak Clustering (DPC) algorithm to roughly 15 million representative AlphaFold2- predicted structures from the Foldseek Cluster database (a representative set of the AlphaFold Database, AlphaFoldDB v4.0), producing 28,246 structural metaclusters without any manual annotation. Because protein structure is more conserved than sequence over evolutionary time, DPCstruct recovers remote homologs, including proteins sharing a common fold at less than 30% sequence identity, that purely sequence-based methods typically miss.

Use the toggle buttons to switch between the Properties view (intrinsic structural metrics and Pfam annotations), the CATH fold annotations, or the SCOP fold annotations. Click any MCID to open its detail page, where you can explore the sequences and launch the integrated PDBe-Mol* 3D viewer.

CATH Fold MCID DPC Target Q.Range T.Range Q.Cov T.Cov Q.TM-Score T.TM-Score A.TM-Score lDDT pIdent
3.60.15 MC7604 B8LEP1_7604 1-231 1-258 1.0 0.81 0.33 0.27 0.27 0.0 11.6
3.75.10 MC7604 R5VPP8_7604 3-274 6-282 0.99 0.93 0.23 0.23 0.23 0.0 9.1
6.20.70 MC7604 A0A0A1HXK4_7604 2-28 169-196 0.9 0.14 0.67 0.13 0.13 0.75 17.8
3.30.750 MC7604 A0A1C3TWX9_7604 3-126 106-230 0.98 0.49 0.93 0.47 0.47 0.83 31.2
3.60.21 MC7604 A0A223MWA9_7604 2-180 15-193 0.97 0.93 0.95 0.91 0.91 0.92 52.2
4.10.75 MC7596 A0A5N5TI62_7596 1-47 57-106 1.0 0.39 0.75 0.3 0.3 0.8 32.0
3.10.360 MC7591 A0A423SRE3_7591 3-40 138-174 0.95 0.21 0.79 0.2 0.2 0.8 28.9
1.20.1590 MC7571 A0A177PZ23_7571 14-173 28-188 0.83 0.74 0.53 0.47 0.47 0.46 17.1
3.30.1450 MC7541 A0A0U5IBS1_7541 2-87 1-78 0.99 1.0 0.74 0.82 0.82 0.71 22.0
2.40.50 MC7537 A0A3S5DFF7_7537 1-68 630-697 0.99 0.1 0.96 0.1 0.1 0.93 47.0
Legend
  • Agreement between CATH Folds and DPCstruct Metacluster Domains:
  • CATH Fold: CATH fold identifier.
  • MCID: DPCstruct metacluster identifier.
  • DPC Target: Target DPCstruct protein domain.
  • Q./T.Range: Amino acid coordinate ranges for query and target.
  • Q./T.Cov: Coverage metrics indicating how much of each domain was covered in the alignment.
  • A.TM-Score: Template Modeling score of the structural alignment (0-1).
  • lDDT: Local Distance Difference Test score.
  • pIdent: Percent sequence identity between query and target.