Fig. 5

Alignment and visualization of the predicted and actual binding sites of protein sequences. Heat maps of the alignments between the predicted and actual binding sites: a 3rsx; b 2zc9 (the abscissa axis is the length of the protein sequence). Visualization: c 3rsx (the complex of Bace-1 (beta-secretase) and inhibitor 6-(thiophen-3-yl) quinolin-2-amine);  2zc9 (the complex of thrombin and inhibitor d-phenylalanyl-N-(3-chlorobenzyl)-l-prolinamide). The basic protein structures are present in green. The predicted important sites, which are highlighted in red, nearly overlap with the actual binding pockets (yellow) and cover the protein residues that interact with the ligands (light blue)