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
1.20.1680 MC8924 M2X1S7_8924 4-117 8-131 0.97 0.8 0.26 0.22 0.22 0.0 12.5
1.10.1780 MC8924 A0A5N7CPI5_8924 11-163 3-149 0.94 0.89 0.18 0.18 0.18 0.0 12.1
1.20.1460 MC8921 A0A536UAX8_8921 4-151 29-157 0.96 0.8 0.37 0.36 0.36 0.51 17.4
1.10.3420 MC8921 A0A0A8XHM5_8921 4-130 78-170 0.98 0.55 0.39 0.3 0.3 0.58 11.8
3.30.420 MC8908 T1IZT8_8908 1-262 232-495 0.97 0.53 0.95 0.52 0.52 0.91 49.2
3.30.342 MC8908 Q58295_8908 1-132 1-130 0.86 0.43 0.72 0.37 0.37 0.74 33.1
3.40.350 MC8908 A0A4U7DS53_8908 9-124 163-324 0.94 0.47 0.56 0.23 0.23 0.49 8.8
1.20.58 MC8904 A0A453K3R9_8904 2-66 26-89 0.92 0.71 0.76 0.62 0.62 0.74 10.7
3.30.310 MC8895 A0A7W1R6C9_8895 4-94 2-92 0.81 0.98 0.73 0.86 0.86 0.66 31.8
1.10.1520 MC8886 A0A2A5K645_8886 10-121 1-116 0.9 0.99 0.85 0.91 0.91 0.84 40.6
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.