Figure 4.

Examples of prediction results. Prediction results of (A) aminoglycoside 6'-N-acetyltransferase (PDB code: 1B87), (B) pheromone-binding protein (PDB code: 1DQE), and (C) tachylectin-2 (PDB code: 1TL2) are shown in the graph on the left side. The red and blue lines show predicted scores for internal and external motion; red and blue dotted lines respectively signify calculated scores obtained using NMA. The residue number is shown on the horizontal axis. The locations of secondary structures are shown as red and yellow bars, respectively, for α-helix and β-sheet. The scores of the two motions are presented on the vertical axis. On the right side, the predicted scores for internal and external motions are mapped, respectively, with a gradient from negative (blue) to positive (red) onto their structures of the left and the right sides. Green signifies a ligand. A correlation coefficient between predicted scores and normalized NMA scores is shown as CC. These results were obtained using the method that implemented psipred and sable.