The structure of conformational, discontinuous binding surfaces that associate with a binding molecule, preferably the epitopes of monoclonal antibodies (mAbs) may be discovered. The binding molecule is used to select specific peptides from a peptide library that, in turn, are used as a binding surface (epitope) defining database that is applied via a novel computer algorithm to analyze the crystalline-structure of the original binding surface (antigen). An antigenic epitope-mimetic that is recognized by its original mAb may be reconstituted based on the segments of the epitope identified in the prediction.
THE MAPPING AND RECONSTITUTION OF A CONFORMATIONAL DISCONTINUOUS BINDING SURFACE