| Protein sequence(s) | PEITLIIFGVIAGVIGTILLISYGIRRL input pdb |
| Peptide sequence | MATPSPTTTSVPEDEKVEES |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCCCCCCCCCCHHHHCCC |
| Receptor residue | Peptide residue |
| Receptor residue | Peptide residue |
| Receptor residue | Peptide residue |
| cluster name | cluster density | average rmsd | max rmsd | number of elements |
| cluster_1.pdb ( medoid) | 22.1618 | 5.64033 | 22.736 | 125 |
| cluster_2.pdb ( medoid) | 16.2708 | 11.0013 | 28.509 | 179 |
| cluster_3.pdb ( medoid) | 13.9361 | 8.4672 | 19.9925 | 118 |
| cluster_4.pdb ( medoid) | 10.5366 | 9.77548 | 16.2609 | 103 |
| cluster_5.pdb ( medoid) | 9.43806 | 10.1716 | 21.0341 | 96 |
| cluster_6.pdb ( medoid) | 8.20266 | 10.7282 | 24.6565 | 88 |
| cluster_7.pdb ( medoid) | 7.82537 | 14.1846 | 31.4911 | 111 |
| cluster_8.pdb ( medoid) | 6.67559 | 9.58716 | 20.3993 | 64 |
| cluster_9.pdb ( medoid) | 5.5968 | 10.8991 | 20.6865 | 61 |
| cluster_10.pdb ( medoid) | 4.7792 | 11.5082 | 26.04 | 55 |