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(A) Distribution of θlig values in the PPI and Astex data sets. Ligands bound at protein interaction sites (red, median value 0.45) tend to be more exposed than drug-like compounds (blue, median value 0.33), with a difference of means that is statistically significant (p < 10-6). As described in the text, proteases are an exception in the latter set. (B) Representative examples of complexes with low and high θlig (PDB IDs 1s3v and 1tft, respectively).
