| Protein sequence(s) | PEITLIIFGVIAGVIGTILLISYGIRRL input pdb |
| Peptide sequence | RSLANDWQSSNLTGT |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCHHHHHCCCCCC |
| 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) | 34.3378 | 6.8729 | 25.7875 | 236 |
| cluster_2.pdb ( medoid) | 26.7943 | 6.64321 | 16.7383 | 178 |
| cluster_3.pdb ( medoid) | 13.0846 | 5.57907 | 14.7785 | 73 |
| cluster_4.pdb ( medoid) | 11.2835 | 6.11513 | 17.816 | 69 |
| cluster_5.pdb ( medoid) | 11.1493 | 7.17532 | 20.4344 | 80 |
| cluster_6.pdb ( medoid) | 11.0847 | 5.41286 | 12.3737 | 60 |
| cluster_7.pdb ( medoid) | 10.4274 | 9.30238 | 21.7639 | 97 |
| cluster_8.pdb ( medoid) | 8.05216 | 9.56265 | 21.2485 | 77 |
| cluster_9.pdb ( medoid) | 6.85105 | 11.823 | 24.474 | 81 |
| cluster_10.pdb ( medoid) | 4.1708 | 11.7483 | 23.9904 | 49 |