Simulation results from the study on structure [PDB:1CMK] A. Examples of the generated conformers of the constructed 100mer peptide. The conformers are aligned to the peptide in [PDB:1CMK] complex. (Left): Conformers not available for docking. The regions near binding site appear to be more random coiled. For a conformer unavailable for docking, the root mean squared distance (RMSD) of the alignment between the binding peptide and the binding region in the constructed peptide is bigger than the threshold 0.5. (Right): Conformers available for docking. B. Rgyr distribution and end-to-end distance distribution for D31-70 for the constructed 100mer peptide. The left graph displays the Rgyr distribution for the constructed 100mer peptide. The right graph displays the end-to-end distribution of D31-70 for the constructed 100mer peptide.