Figure 1.

Structural comparison of the RDC-CS and NOE (1yzb) ensembles. (a and b) Occurrence of α-helical (blue) and β-sheet (red) structures along the sequence: RDC-CS ensemble (a), and NOE ensemble (b). In the helical populations we considered both α-helices and 3₁₀-helices. (c and d) Contact maps of the RDC-CS ensemble (c) and NOE ensemble (d). The contact map reports the occurrence of residue-residue contacts in the ensemble. For each pair of residues a contact is counted if the C^α-atoms are at a distance lower than 8 Å. The calculation is performed on individual structures of the ensemble. (e) Validation of the RDC-CS ensemble with NOE data. For each structure of the RDC-CS ensemble experimental NOEs are checked by using the distance limits as employed in the NOE structural refinement (PDB code 1yzb). The plot reports the distribution of percentage of NOEs fulfilled (green) and violated (orange) by individual structures of the RDC-CS ensemble. To see this figure in color, go online.