| Protein sequence(s) | SHMKQLEDKVEELLSKNYHLENEVARLKYKRNQEEIETYYEYTLKIEAINNEMRKFRHDYVNILTTLSEYIREDDMPGLRDYFNKNIVPMKDNLQMNAIKLNGIEENLKVREIKGLITAKILRAQEMNIPISIEIPDEVSSINLNMIDLSRSIGIILDNAIEASTEIDDPIIRVAFIESENSVTFIVMNKCADDIPRIHELFQEEGRGLGLSTLKEIADNADNVLLDTIIENGFFIQKVEIINN input pdb |
| Peptide sequence | VVIPIELR |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCEEECC |
| 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) | 42.7316 | 4.61017 | 26.8954 | 197 |
| cluster_2.pdb ( medoid) | 36.3103 | 3.1396 | 13.4889 | 114 |
| cluster_3.pdb ( medoid) | 29.7684 | 4.19908 | 15.3291 | 125 |
| cluster_4.pdb ( medoid) | 27.7634 | 7.23975 | 44.1886 | 201 |
| cluster_5.pdb ( medoid) | 22.0714 | 2.80906 | 8.2171 | 62 |
| cluster_6.pdb ( medoid) | 20.0064 | 5.14836 | 24.658 | 103 |
| cluster_7.pdb ( medoid) | 12.3006 | 4.95912 | 11.5885 | 61 |
| cluster_8.pdb ( medoid) | 12.0415 | 5.5641 | 17.4854 | 67 |
| cluster_9.pdb ( medoid) | 5.53781 | 8.30653 | 19.0212 | 46 |
| cluster_10.pdb ( medoid) | 1.6911 | 14.192 | 31.8223 | 24 |