| Protein sequence(s) | MVLSDKTPGSASYRISDNNFVQCGSNCTMIIDGDVVRGRPQDPGAAASPAMVLSDKTPGSASYRISDNNFVQCGSNCTMIIDGDVVRGRPQDPGAAASPA input pdb |
| Peptide sequence | HRHRHVQLFGYRHRHRH |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCCCCCCCCCCCCCC |
| 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) | 30.1827 | 10.0057 | 33.66 | 302 |
| cluster_2.pdb ( medoid) | 21.8019 | 5.82518 | 24.17 | 127 |
| cluster_3.pdb ( medoid) | 15.7381 | 5.21029 | 18.9693 | 82 |
| cluster_4.pdb ( medoid) | 15.673 | 6.31659 | 17.0482 | 99 |
| cluster_5.pdb ( medoid) | 8.30281 | 8.67177 | 30.1594 | 72 |
| cluster_6.pdb ( medoid) | 7.46208 | 11.927 | 34.444 | 89 |
| cluster_7.pdb ( medoid) | 4.48225 | 13.8324 | 33.0631 | 62 |
| cluster_8.pdb ( medoid) | 3.72567 | 17.9833 | 33.0218 | 67 |
| cluster_9.pdb ( medoid) | 3.47946 | 15.8071 | 28.5475 | 55 |
| cluster_10.pdb ( medoid) | 2.21172 | 20.3462 | 43.7201 | 45 |