Quality of the MOLS sampling.

Comparison between the structures generated using MOLS and the respective experimental structures. When the structures were binned according to their energy values, the ones in the lowest 10% bin were compared with the experimental structures. Column (A) gives the average rmsd of this set, and column (B) gives the average energy of the structures in this set. The other columns compared the single best predicted structure and the one with the lowest energy with the respective experimental structures.