| Protein sequence(s) | MLCATLPESRDVRTLIETFRQAALQIGYQHHAIVELSGTSHPASIDVVSLHYPSEWVEHYTRNDYFTIDPVHRAAFRYSTPFPWNDIATSNLRERHLLMEAEDAGLDNGISIPLHQPLGRVLLVSLSGTAPTHDADAKWRNAYLLGMQFNLQLQSMRTCRPIPPSVHLTDREQMCLTWVARGKSSWVIANMLDISKYTVDFHIENAMEKLNTRSRTFAAVKATRQGLIFP 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) | 21.3925 | 5.93666 | 16.5094 | 127 |
| cluster_2.pdb ( medoid) | 19.6269 | 5.0441 | 11.7302 | 99 |
| cluster_3.pdb ( medoid) | 17.1332 | 7.82105 | 17.7782 | 134 |
| cluster_4.pdb ( medoid) | 16.5488 | 7.85556 | 42.5846 | 130 |
| cluster_5.pdb ( medoid) | 15.7493 | 9.14328 | 29.5727 | 144 |
| cluster_6.pdb ( medoid) | 13.6382 | 7.8456 | 46.2671 | 107 |
| cluster_7.pdb ( medoid) | 9.66844 | 9.41207 | 25.7641 | 91 |
| cluster_8.pdb ( medoid) | 4.95677 | 8.47326 | 17.7826 | 42 |
| cluster_9.pdb ( medoid) | 3.38144 | 14.4909 | 37.3019 | 49 |
| cluster_10.pdb ( medoid) | 2.54967 | 14.5117 | 38.163 | 37 |