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
2.170.140 MC4609 A0A7E4RWR0_4609 9-67 18-77 0.81 0.74 0.54 0.5 0.5 0.56 16.6
1.20.1020 MC4607 A0A5K4ELU2_4607 1-88 20-106 0.93 0.81 0.78 0.7 0.7 0.77 38.6
1.10.4190 MC46052 A0A1X9MH65_46052 9-200 7-205 0.95 0.92 0.87 0.82 0.82 0.76 33.0
3.60.10 MC45679 A0A673ZSG1_45679 1-289 6-306 1.0 0.98 0.98 0.93 0.93 0.95 58.6
3.30.860 MC4564 A0A0V1BVR6_4564 5-83 1-79 0.82 1.0 0.72 0.86 0.86 0.65 68.3
3.40.462 MC45614 A0A3D3UYV1_45614 36-280 65-238 0.88 0.45 0.16 0.12 0.12 0.0 10.5
3.40.140 MC4541 A0A2I0N9F4_4541 1-119 16-133 0.95 0.44 0.84 0.41 0.41 0.76 38.6
1.10.439 MC4539 A0A523XDM3_4539 4-115 9-148 0.96 0.94 0.37 0.31 0.31 0.55 15.6
3.90.1860 MC45389 A0A808TI74_45389 73-480 1-403 0.85 1.0 0.82 0.97 0.97 0.84 51.2
1.10.405 MC45329 A0A815Z084_45329 1-86 14-111 0.94 0.78 0.58 0.46 0.46 0.55 15.0
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.