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
3.40.1570 MC6186 A0A7G2IUC1_6186 1-169 89-347 1.0 0.74 0.98 0.47 0.47 0.95 55.9
6.20.90 MC6144 A0A453QRA0_6144 1-37 8-45 0.9 0.76 0.8 0.67 0.67 0.88 34.2
2.10.150 MC61388 A0A7E4VXZ5_61388 1-86 138-205 0.85 0.31 0.35 0.18 0.18 0.5 14.9
2.60.130 MC61388 A0A2N1PQM3_61388 35-185 4-83 0.82 0.52 0.35 0.42 0.42 0.5 9.2
2.70.220 MC61388 A0A6V8MJQ4_61388 16-161 10-118 0.9 0.48 0.45 0.34 0.34 0.53 9.2
2.30.32 MC61388 A0A4Q5VFX7_61388 1-50 171-220 1.0 0.2 0.78 0.18 0.18 0.71 62.0
2.60.500 MC61388 A0A3B8SMF3_61388 1-97 61-131 0.99 0.49 0.52 0.37 0.37 0.51 7.9
2.40.480 MC6124 A0A6A6MD78_6124 3-88 4-84 0.98 0.66 0.73 0.54 0.54 0.72 22.4
2.40.470 MC61164 A0A6I4KKA6_61164 2-112 13-180 0.99 0.48 0.98 0.32 0.32 0.97 64.2
1.10.196 MC61101 A0A834EL79_61101 1-47 47-173 1.0 0.73 0.95 0.26 0.26 0.92 22.8
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.