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
1.10.540 MC1692 A0A5A7NGN9_1692 4-100 32-139 0.84 0.78 0.7 0.6 0.6 0.66 14.8
3.90.780 MC16908 A0A6J0I089_16908 1-213 28-241 1.0 0.89 0.99 0.88 0.88 0.97 66.3
3.30.1530 MC16867 A0A1I4A6P7_16867 1-63 60-123 1.0 0.52 0.9 0.48 0.48 0.87 40.6
3.90.170 MC1686 A0A2U1NL37_1686 1-160 39-198 1.0 0.81 0.99 0.8 0.8 0.98 76.2
2.70.180 MC1672 A0A2Z2HYW8_1672 23-117 1-105 0.81 0.9 0.57 0.57 0.57 0.56 23.8
3.90.1760 MC16511 J7QLC0_16511 1-144 29-172 1.0 0.43 0.99 0.43 0.43 0.98 100.0
3.20.160 MC16490 A0A161ZXY9_16490 2-111 6-120 0.99 0.96 0.95 0.88 0.88 0.95 43.4
3.40.950 MC16479 A0A180F3X5_16479 2-142 109-342 0.99 0.57 0.95 0.34 0.34 0.91 30.7
3.30.2290 MC16261 A0A7E4SGM3_16261 9-225 12-228 0.96 0.58 0.87 0.54 0.54 0.8 22.1
4.10.1090 MC1618 A0A2E2DCD2_1618 5-93 26-108 0.96 0.39 0.74 0.34 0.34 0.73 21.3
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.