| Protein sequence(s) | DEAEASKFVEEYDRTSQVVWNEYAEANWNYNTNITTETSKILLQKNMQIANHTLKYGTQARKFDVNQLQNTTIKRIIKKVQDLERAALPAQELEEYNKILLDMETTYSVATVCHPNGSCLQLEPDLTNVMATSRKYEDLLWAWEGWRDKAGRAILQFYPKYVELINQAARLNGYVDAGDSWRSMYETPSLEQDLERLFQELQPLYLNLHAYVRRALHRHYGAQHINLEGPIPAHLLGNMWAQTWSNIYDLVVPFPSAPSMDTTEAMLKQGWTPRRMFKEADDFFTSLGLLPVPPEFWNKSMLEKPTDGREVVCHASAWDFYNGKDFRIKQCTTVNLEDLVVAHHEMGHIQYFMQYKDLPVALREGANPGFHEAIGDVLALSVSTPKHLHSLNLLSSDEHDINFLMKMALDKIAFIPFSYLVDQWRWRVFDGSITKENYNQEWWSLRLKYQGLCPPVPRTQGDFDPGAKFHIPSSVPYIRYFVSFIIQFQFHEALCQAAGHTGPLHKCDIYQSKEAGQRLATAMKLGFSRPWPEAMQLITGQPNMSASAMLSYFKPLLDWLRTENELHGEKLGWP input pdb |
| Peptide sequence | WRMDIDGDIMISEQEAHQR |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCCCCCEEECHHHHHCC |
| 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) | 47.484 | 2.10597 | 4.31062 | 100 |
| cluster_2.pdb ( medoid) | 32.5054 | 3.13794 | 28.9861 | 102 |
| cluster_3.pdb ( medoid) | 23.917 | 4.39018 | 24.6346 | 105 |
| cluster_4.pdb ( medoid) | 15.4416 | 7.96548 | 26.4139 | 123 |
| cluster_5.pdb ( medoid) | 11.1099 | 9.63107 | 35.4544 | 107 |
| cluster_6.pdb ( medoid) | 6.7966 | 15.7432 | 37.6197 | 107 |
| cluster_7.pdb ( medoid) | 6.72746 | 15.6077 | 32.5841 | 105 |
| cluster_8.pdb ( medoid) | 6.62386 | 16.3047 | 36.1292 | 108 |
| cluster_9.pdb ( medoid) | 5.6172 | 13.5299 | 36.1153 | 76 |
| cluster_10.pdb ( medoid) | 1.48438 | 18.1894 | 40.4061 | 27 |