Fig. 10.
Classification of CATH superfamilies in 3DP-space and comparison of 3DP with structural alignment tools Fr-TMalign, SPalign and MATT. a AUC and EF0.1% values for ROC curves recovering 150 CATH superfamilies from the entire PDB by 3DP-similarity. b Locations of 6 CATH superfamilies (1.10.246.10, 2.30.30.40, 2.60.120.20, 3.10.320.10, 3.40.50.200 and 3.40.309.10) on the PDB-map. c Correlation between alignment scores (Fr-TMalign, SPalign, MATT) and CBD3DP obtained from 10 domain movement frames of the glutamine binding protein (Fig. 3). Red square: Fr-TMalign; Blue square: SPalign; Green square: MATT. d Correlation between alignment scores (Fr-TMalign, SPalign, MATT) and CBD3DP for 50 CDK2 and 50 decoys (1225 CDK2 pairs and 2500 CDK2-decoy cross-pairs). Red square: Fr-TMalign; Blue square: SPalign; Green square: MATT; Orange circle: CDK2 proteins. e Example of shape analogs of the CDK2 protein 3PY1 identified by 3DP-similarity or 3D-alignment tools. 1A8E is detected as shape analog of 3PY1 by 3DP similarity, but not by any of the three alignment tools. 4W9X is similar to 3PY1 in each of the three alignment tools, but is not a close analog by 3DP similarity