DPCstruct Metaclusters

⬡ Domain Classification in Structural Space

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
3.40.430 MC8564 A0A2G2W9C3_8564 23-165 159-331 0.87 0.52 0.31 0.19 0.19 0.0 13.7
1.20.1700 MC8564 A0A0V0I0Y1_8564 1-90 23-112 1.0 0.31 0.99 0.31 0.31 0.99 83.3
3.40.1160 MC8564 A0A2N2I9I5_8564 5-238 165-321 0.98 0.49 0.36 0.29 0.29 0.0 10.9
1.10.285 MC8564 A0A847GJ46_8564 1-57 61-125 0.88 0.23 0.65 0.18 0.18 0.63 27.6
1.10.1510 MC8562 E0U5Z0_8562 3-91 1-92 0.98 0.99 0.96 0.94 0.94 0.93 38.0
1.10.20 MC8549 A0A1A9YSR2_8549 1-92 34-125 1.0 0.74 0.99 0.73 0.73 0.97 95.6
6.10.130 MC8549 J9HY74_8549 2-41 29-68 0.95 0.32 0.82 0.29 0.29 0.81 15.0
1.10.3300 MC8544 A0A7H8L8C7_8544 13-181 29-228 0.93 0.76 0.65 0.48 0.48 0.57 19.5
3.30.300 MC8543 A0A645HTB4_8543 1-84 17-100 1.0 0.82 0.98 0.8 0.8 0.95 53.5
2.30.280 MC8538 A0A2H3E1C5_8538 3-160 15-151 0.83 0.87 0.64 0.77 0.77 0.68 31.4
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.