Figure 5

SOIPPA motifs. In each image, the motif substructure is colored green while the matched substructure is colored purple. All ligands neighboring either the motif or matched substructure are shown colored by atom type for reference; the ligand atoms are not used at any point during the LabelHash matching process. (a) LabelHash motif based on [PDB:1HQC] in C _α RMSD alignment to the matched substructure from [PDB:1ZTF]; 8 matched residues. (b) LabelHash motif based on [PDB:1ECJ] in C _α RMSD alignment to the matched substructure from [PDB:1H3D]; 7 matched residues. (c) LabelHash motif based on [PDB:1AYL] in C _α RMSD alignment to the matched substructure from [PDB:1P9W]; 11 matched residues.