Figure 9
From: Modeling regionalized volumetric differences in protein-ligand binding cavities
Fragments in regional models. A. The S1 subsite of atlantic salmon elastase (pdb: 1elt) shown in teal. B. The S1 subsite of human trypsin (pdb: 1h4w) shown in transparent yellow. C. A user-defined cube, shown in transparent yellow, within which the volume of fragments between the S1 subsites of training set trypsins varies considerably. D. A statistically significant fragment inside C, shown in teal, between the S1 subsites of 1h4w and 1elt, with volume 55 Å3. E. A user-defined cube, shown in transparent yellow, within which the volume of fragments between the S1 subsites of training set trypsins varies only a little. F. A statistically significant fragment inside E, shown in teal, between the S1 subsites of 1h4w and 1elt, with volume 17 Å3.