In silico characterisation, homology modelling and structure-based functional annotation of blunt snout bream (Megalobrama amblycephala) Hsp70 and Hsc70 proteins

Table 5 Residue-specific ligand binding probability

	PDB ID	C-score	Clust. size	Ligand	Ligand-binding site residues
Ma-Hsp70	1kax-A	0.98	176	ATP	14, 15, 16, 17, 203, 204, 205, 206, 232, 270, 273, 274, 277, 340, 341, 342, 344, 345, 368
Ma-Hsp70	1hpm-A	0.22	33	PO4	14, 15, 73, 149, 177, 231
Ma-Hsc70	1yag-A	0.96	146	ATP	12, 13, 14, 15, 17, 201, 202, 203, 204, 230, 268, 271, 272, 338, 339, 340, 342, 343, 366
Ma-Hsc70	3l4i-B	0.23	32	PO4	12, 13, 71, 147, 175, 229

Predicted by COACH analysis, based on the C-score of the structural alignment between the query structure and known structures in the PDB. C-score is the confidence score of the prediction, where a higher score (min-0, max-1) indicates a more reliable prediction; Clust. size is the total number of templates in a cluster; ligand is the name of a possible binding ligand

ISSN: 2055-0391