| Protein sequence(s) | APYGARMPFGGQVPLGAPPPFPTWPGCPQPPPLHAWQAGTPPPPSPQPAAFPQSLPFPQSPAFPTASPAPPQSPGLQPLIIHHAQMVQLGLNNHMWNQRGSQAPEDKTQEAE input pdb |
| Peptide sequence | HHHVQPYGHHHHHHHHH |
| 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) | 19.0526 | 7.45307 | 30.8489 | 142 |
| cluster_2.pdb ( medoid) | 18.9719 | 5.74533 | 30.0747 | 109 |
| cluster_3.pdb ( medoid) | 15.8804 | 8.06024 | 31.1584 | 128 |
| cluster_4.pdb ( medoid) | 13.3173 | 12.1646 | 31.3231 | 162 |
| cluster_5.pdb ( medoid) | 12.6121 | 11.259 | 29.6329 | 142 |
| cluster_6.pdb ( medoid) | 8.50269 | 10.5849 | 32.8237 | 90 |
| cluster_7.pdb ( medoid) | 7.50575 | 11.3247 | 27.0943 | 85 |
| cluster_8.pdb ( medoid) | 4.01709 | 14.9362 | 35.0494 | 60 |
| cluster_9.pdb ( medoid) | 3.32164 | 16.5581 | 32.506 | 55 |
| cluster_10.pdb ( medoid) | 2.03239 | 13.2849 | 24.1858 | 27 |