| Protein sequence(s) | PEITLIIFGVIAGVIGTILLISYGIRRL input pdb |
| Peptide sequence | HANTAEIAESYDNRRL |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCHHHHHHHHHCCCC |
| 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) | 22.0146 | 6.08686 | 23.0496 | 134 |
| cluster_2.pdb ( medoid) | 21.3808 | 6.73502 | 26.0725 | 144 |
| cluster_3.pdb ( medoid) | 16.4654 | 7.40947 | 24.4913 | 122 |
| cluster_4.pdb ( medoid) | 15.5677 | 6.23084 | 17.8892 | 97 |
| cluster_5.pdb ( medoid) | 11.0179 | 10.1653 | 25.383 | 112 |
| cluster_6.pdb ( medoid) | 10.2539 | 11.7029 | 29.7991 | 120 |
| cluster_7.pdb ( medoid) | 7.01862 | 11.3982 | 23.3662 | 80 |
| cluster_8.pdb ( medoid) | 6.56965 | 11.8728 | 30.9388 | 78 |
| cluster_9.pdb ( medoid) | 6.27064 | 10.0468 | 21.5669 | 63 |
| cluster_10.pdb ( medoid) | 4.44341 | 11.2526 | 26.5578 | 50 |