Figure 3

Evaluating the effect of environment descriptors. The binding site of CI-2-SUBTILISIN NOVO (PDB code: 2sni, chain E; surface representation) was predicted using structural, energy, conservation, and B-factor information and three different types of environments definitions. (A) Interface as in the crystal structure (highlighted in red). (B) Prediction using a 9-residues sliding window. (C) Prediction using distance threshold (15 Angstroms cut-off). (D) Prediction using VDs. The gradient colour represents score values (s) where: blue (0 ≤ s < 0.5), green (0.5 ≤ s ≤ 0.7), yellow (0.7 ≤ s < 0.9), and red (s > 0.9). Solid and dashed circles represent differences in the prediction of non-interface and interface residues, respectively.