Figure 2

The ligand binding pocket of MMP-1 for an instance of a conformer. The pocket enlarged by Ala-substitution was mapped by 809 3D points using the POCKET algorithm. The 3D points are depicted by small spheres color-coded according to their contact states: 578 points were free of contacts with any of the conformers (gray); 231 points that had 'conditional' contacts with some but not all of the conformers were shown in blue (free of contact for a given conformer) or red (in contact in this case). In the zoomed portion, the points are labeled and their contact status is coded at the corresponding position in the bit string shown below (1 in contact; 0 for free of contact).