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
3.90.199 MC6474 A0A7S1MBA1_6474 1-169 12-180 0.92 0.36 0.91 0.36 0.36 0.92 59.7
3.10.28 MC6474 A8V037_6474 16-89 242-312 0.83 0.23 0.58 0.19 0.19 0.58 14.6
3.30.1360 MC6474 A0A0S7JA91_6474 1-104 130-233 1.0 0.25 1.0 0.25 0.25 0.99 80.7
1.10.268 MC6474 A0A0S7JA91_6474 2-99 270-390 0.98 0.3 0.96 0.24 0.24 0.97 59.5
2.70.50 MC6464 A0A662GDW3_6464 4-125 348-460 0.95 0.24 0.54 0.18 0.18 0.53 12.8
2.20.130 MC6464 A0A662GDW3_6464 1-84 353-461 1.0 0.24 0.67 0.15 0.15 0.56 10.8
3.90.76 MC6464 A0A662GDW3_6464 1-104 65-212 0.97 0.32 0.65 0.18 0.18 0.52 11.3
3.90.180 MC6458 A0A2U1S914_6458 2-163 133-223 0.81 0.41 0.18 0.16 0.16 0.0 12.9
3.20.70 MC6455 A0A3D2NUE1_6455 5-521 81-545 0.97 0.7 0.13 0.11 0.11 0.0 12.0
3.30.1340 MC6452 A0A2U3KML5_6452 1-60 461-530 0.97 0.12 0.52 0.08 0.08 0.54 10.0
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.