| Protein sequence(s) | PEITLIIFGVIAGVIGTILLISYGIRRL input pdb |
| Peptide sequence | AAREEVPGRRGYPGY |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCCCCCCCCCCCC |
| 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) | 23.2459 | 5.76447 | 19.7801 | 134 |
| cluster_2.pdb ( medoid) | 19.1137 | 5.44111 | 19.5668 | 104 |
| cluster_3.pdb ( medoid) | 18.0278 | 5.82435 | 15.0509 | 105 |
| cluster_4.pdb ( medoid) | 16.2692 | 6.63832 | 17.2791 | 108 |
| cluster_5.pdb ( medoid) | 15.957 | 7.70823 | 19.2412 | 123 |
| cluster_6.pdb ( medoid) | 15.3195 | 7.44147 | 22.4588 | 114 |
| cluster_7.pdb ( medoid) | 14.3516 | 6.20138 | 22.5241 | 89 |
| cluster_8.pdb ( medoid) | 7.38962 | 15.0211 | 29.6266 | 111 |
| cluster_9.pdb ( medoid) | 5.56661 | 9.7007 | 19.4159 | 54 |
| cluster_10.pdb ( medoid) | 5.20265 | 11.1482 | 21.3084 | 58 |