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
1.10.3540 MC44051 A0A847VNG1_44051 7-169 8-172 0.86 0.95 0.54 0.57 0.57 0.43 10.1
1.10.460 MC44051 A0A6F8SIZ6_44051 2-118 147-247 0.8 0.4 0.47 0.29 0.29 0.54 10.5
3.90.241 MC44051 V6M8D3_44051 5-243 3-149 0.87 0.99 0.41 0.71 0.71 0.46 8.7
3.40.109 MC4402 X8A8L3_4402 2-182 5-185 0.96 0.93 0.96 0.93 0.93 0.99 90.6
4.10.950 MC4394 K2DBJ0_4394 8-77 1-74 0.91 0.95 0.82 0.81 0.81 0.84 48.6
2.40.300 MC43938 A0A4V0I836_43938 2-122 5-128 0.98 0.56 0.61 0.36 0.36 0.52 10.4
2.170.11 MC43883 Q9NJG8_43883 1-128 46-260 1.0 0.81 1.0 0.48 0.48 1.0 59.5
3.90.1210 MC4364 A0A5A9Z2G6_4364 1-73 5-77 1.0 0.91 0.97 0.88 0.88 0.95 50.6
4.10.110 MC43617 A0A091D7P3_43617 1-40 54-93 1.0 0.43 0.98 0.43 0.43 0.98 72.5
3.40.1500 MC43612 A0A7C8YV50_43612 16-240 2-125 0.93 0.71 0.38 0.51 0.51 0.43 9.7
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.