Complexes after comparative docking

Receptor: model based on 3PMP chain:B
& Ligands found in homologous templates


Theoretical pKd : [ ‹nMol | ‹μMol | ‹mMol | ›mMol] - Values:

Score for Scwrl (Unconserved side chains of binding site are recalculated) model :

Result RMS (ca) pKd Avg. Q PSim Ligand Name : Origin Transfer
CHAIN_D_4 0.000 8.1 0.26 7.7 CYCLOSPORIN A 3PMP Raw