Complexes after comparative docking

Receptor: model based on 4W5H chain:A
& 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
TRS_A_2 0.000 2.6 0.65 75.4 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL 4W5H Raw