A non-natural amino acid promotes conformational selection at the Pro528 TACC3 residue MD analyses alongside in silico alanine scanning were instrumental in examining additional residues for further optimization (Fig. , Table . Fig. ). Both analyses indicated that when bound to Aurora-A, residues: Val531 TACC3 (ΔΔGpred= 3.6 kJ mol -1 ), Leu532 TACC3 (ΔΔGpred= 8.2 kJ mol -1 ) and Pro531 TACC3 (ΔΔGpred= 4.8 kJ mol -1 ) are important for binding and establish a significant number of contacts with the surface of Aurora-A (Fig. ).