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
1.10.3650 MC49046 A0A378BDW3_49046 1-77 138-214 1.0 0.29 0.9 0.28 0.28 0.85 96.1
3.90.1460 MC490 A0A5N4CXZ4_490 8-87 33-112 0.92 0.34 0.89 0.33 0.33 0.87 98.7
3.30.1690 MC48634 A0A2D5S031_48634 1-180 37-141 0.99 0.74 0.44 0.55 0.55 0.45 10.8
2.40.400 MC48502 F2UKZ4_48502 46-227 3-187 0.8 0.93 0.79 0.91 0.91 0.8 43.2
1.10.1820 MC48423 A0A2U9CXG1_48423 1-90 25-125 1.0 0.45 1.0 0.4 0.4 0.99 89.1
3.40.1690 MC4828 A0A645DCK1_4828 2-93 179-269 0.98 0.33 0.93 0.32 0.32 0.89 30.4
1.10.560 MC4809 L9KKW1_4809 12-174 2-187 0.94 0.9 0.81 0.69 0.69 0.68 27.4
3.50.7 MC4809 A0A699ZTT4_4809 26-162 2-137 0.85 0.38 0.8 0.38 0.38 0.75 63.5
3.40.1790 MC4805 A0A835VHI6_4805 20-301 2-283 0.92 0.99 0.91 0.98 0.98 0.89 52.8
4.10.365 MC48012 B6TQJ0_48012 1-56 23-78 0.81 0.71 0.53 0.47 0.47 0.73 28.0
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.