| Protein sequence(s) | MTAASMGPVRVAFVVLLALCSRPAVGQNCSGPCRCPDEPAPRCPAGVSLVLDGCGCCRVCAKQLGELCTERDPCDPHKGLFCDFGSPANRKIGVCTAKDGAPCIFGGTVYRSGESFQSSCKYQCTCLDGAVGCMPLCSMDVRLPSPDCPFPRRVKLPGKCCEEWVCDEPKDQTVVGPALAAYRLEDTFGPDPTMIRANCLVQTTEWSACSKTCGMGISTRVTNDNASCRLEKQSRLCMVRPCEADLEENIKKGKKCIRTPKISKPIKFELSGCTSMKTYRAKFCGVCTDGRCCTPHRTTTLPVEFKCPDGEVMKKNMMFIKTCACHYNCPGDNDIFESLYYRKMYGDMA input pdb |
| Peptide sequence | QYWEIQPSTFRCVYVRSAIQLGNYK |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCCCCCCEEEEEECCEEECCCCC |
| 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) | 66.2469 | 0.724563 | 1.93947 | 48 |
| cluster_2.pdb ( medoid) | 66.169 | 0.785866 | 1.31121 | 52 |
| cluster_3.pdb ( medoid) | 29.6379 | 3.37406 | 5.74485 | 100 |
| cluster_4.pdb ( medoid) | 17.4844 | 3.20285 | 6.46919 | 56 |
| cluster_5.pdb ( medoid) | 8.48947 | 3.2982 | 6.27541 | 28 |
| cluster_6.pdb ( medoid) | 7.69315 | 5.06945 | 10.401 | 39 |
| cluster_7.pdb ( medoid) | 4.31273 | 5.56493 | 11.5999 | 24 |
| cluster_8.pdb ( medoid) | 4.16518 | 3.84137 | 5.80546 | 16 |
| cluster_9.pdb ( medoid) | 3.86781 | 4.6538 | 6.61079 | 18 |
| cluster_10.pdb ( medoid) | 2.52359 | 7.52896 | 16.5058 | 19 |