Figure 4.

RosettaHoles2 Scores

(A) RosettaHoles2 scores for crystal structures in the PDB as of May 14th 2010; only structures that contain primarily protein, have no missing nonhydrogen atoms, and are larger than 10 kDa are included. Structures marked in red contain at least one large void surrounded by hydrophobic side chains, 18 structures without such voids are marked with black circles, transmembrane proteins are marked with green squares, and the retracted structure 179L is marked with a cyan diamond. Structures marked as purple triangles have been identified as likely to arise from fabrication. On the right is a histogram of scores for 1.5Å, 2.5Å, and 3.5Å resolution bins.

(B) A more detailed examination of the 179L cell parameter error, showing the voids present in 177L and 179L, which are identical except for the error. The degradation of the RosettaHoles2 score and its two components is shown for increasing void sizes.