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
3.30.200 MC8367 A0A6M6I6V1_8367 3-73 10-74 0.92 0.44 0.56 0.33 0.33 0.0 15.2
4.10.870 MC8359 P22534_8359 2-66 560-624 0.98 0.1 0.98 0.1 0.1 0.99 96.9
2.170.160 MC8359 P22534_8359 1-132 104-329 1.0 0.35 0.98 0.2 0.2 0.98 57.9
1.50.10 MC8359 P22534_8359 1-428 20-646 1.0 0.97 1.0 0.66 0.66 1.0 67.1
1.10.520 MC8352 A0A1G9BE76_8352 6-177 2-182 0.97 0.95 0.88 0.82 0.82 0.8 45.9
1.10.2000 MC8336 A0A812EVH7_8336 2-119 107-237 0.98 0.27 0.55 0.18 0.18 0.51 16.9
3.30.1130 MC8335 A0A538RRQ4_8335 23-138 1-72 0.8 1.0 0.3 0.5 0.5 0.36 6.7
2.10.160 MC8334 A0A2H8TY20_8334 6-55 1-47 0.91 0.56 0.46 0.33 0.33 0.57 24.0
1.10.3200 MC8307 A0A7J5XH56_8307 1-172 2-162 0.99 0.83 0.9 0.8 0.8 0.89 50.0
3.90.1380 MC8307 A0A7R9U2Y1_8307 2-80 124-184 0.91 0.33 0.3 0.15 0.15 0.5 12.6
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.