From the 500 ranked ligands, a more interacting set of can be compared to a more broadly interacting set of or , i.e., the running average includes more scores less than the maximum. Both curves (~500 connected calculated points) share the same characteristics: possible convergence near 500 and 2 bumps at small ligand number. Figure plots the running RMSD average with the P197 docked ligand 5 as a reference point; this gives some information about comparing a specific set of atomic coordinates and the docked CS molecules to S197; note the fluctuation at high rank and this is due to loss of delocalization and specificity at high score in S197 (ligand conformation jitter).