Fig. 3.

(A) Black- and gray-filled bars denote the average number, per conformer, of NOE-derived distance restraint violations obtained from the original and the refined ensembles of 10 conformations of 1D3Z, respectively. The violations are grouped within intervals of 0.5 Ǻ. At a given interval, e.g., 1.0 Ǻ, the heights of the bars represent the accumulated number of violations (X), which are in the range 0.5 < X ≤ 1.0 Ǻ. (B) The difference, as gray bars, between the total number of NOE-derived distance restraint violations after and before the refinement as a function of the conformation number for each of the 10 conformations of 1D3Z. The black-filled square for each conformation represent the total number of repaired flaws.