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
2.170.14 MC18364 A0A662VV80_18364 12-102 8-75 0.88 0.73 0.46 0.5 0.5 0.45 14.2
1.10.506 MC18281 A0A1L8I1Q9_18281 2-171 10-203 0.97 0.95 0.59 0.52 0.52 0.47 13.3
3.30.65 MC1827 A0A810ZXC7_1827 1-53 2-57 0.83 0.97 0.44 0.48 0.48 0.51 23.7
6.20.400 MC17741 A0A218UUT7_17741 1-57 1-56 0.89 0.16 0.29 0.08 0.08 0.62 63.1
2.170.180 MC17741 A0A2P8ZK82_17741 2-99 8-127 0.89 0.33 0.6 0.2 0.2 0.5 21.4
3.60.60 MC17672 D8QNT5_17672 25-273 7-207 0.9 0.96 0.42 0.52 0.52 0.36 11.4
1.10.3760 MC17519 A0A1F2YSR1_17519 19-153 2-142 0.88 0.99 0.47 0.5 0.5 0.44 17.0
1.10.3550 MC17440 A0A816DJM9_17440 3-126 93-215 0.98 0.55 0.7 0.43 0.43 0.64 21.5
3.90.380 MC1744 A0A536ZRZ0_1744 1-186 1-186 0.88 1.0 0.77 0.87 0.87 0.72 29.1
3.30.2030 MC1744 A0A3N1AS85_1744 16-126 19-149 0.82 0.79 0.48 0.41 0.41 0.52 5.9
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.