Top ranked binding modes for ligands docked into G-protein coupled receptor comparative models.

aThe lowest energy binding mode from the largest 5 clusters, determined by heavy-atom ligand RMSD with a cutoff of 2 Å, was used for evaluation. Given here is the cluster rank for the lowest ligand RMSD of the top 5 ranked models.bCoverage of correct contacts was calculated with SimiCon [42] and is the number of correct contacts divided by the total number of ligand contacts made in the experimental structure.cAccuracy of correct contacts was calculated with SimiCon [42] and is the number of correct contacts divided by the total number of ligand contacts made in the model.