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
4.10.640 MC8518 A0A3B3C7F4_8518 9-65 258-328 0.88 0.17 0.56 0.1 0.1 0.61 19.4
2.70.170 MC8518 A0A0G4J2V8_8518 24-207 107-327 0.89 0.64 0.21 0.15 0.15 0.0 11.1
2.20.140 MC8518 A0A1S0UJW0_8518 1-88 275-333 0.99 0.18 0.48 0.15 0.15 0.59 7.9
3.90.80 MC8518 A0A1V8T0N5_8518 1-170 121-269 1.0 0.48 0.13 0.09 0.09 0.0 13.1
2.170.130 MC8518 A0A287I4N7_8518 1-103 230-319 0.99 0.22 0.51 0.15 0.15 0.54 14.2
4.10.830 MC8518 A0A2J7Q3W9_8518 2-48 69-119 0.89 0.11 0.5 0.08 0.08 0.6 25.4
6.20.160 MC8518 A0A817LLT1_8518 4-68 200-256 0.92 0.17 0.25 0.07 0.07 0.52 7.6
3.90.70 MC8518 A0A2I0U7U0_8518 1-315 24-359 1.0 0.9 0.98 0.83 0.83 0.95 80.9
1.20.1310 MC8472 W7G1K4_8472 13-137 3-136 0.81 0.18 0.55 0.13 0.13 0.55 16.4
1.10.1410 MC8460 A0A7J6Z5L0_8460 23-130 2-111 0.81 0.67 0.76 0.62 0.62 0.73 31.8
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.