| Protein sequence(s) | LAIVFAVLIAIYGVYLDQKIRSRIDGKVWQLPAAVYGRMVNLEPDMTISKNEMVKLLEATQYRQVSKMTRPGEFTVQANSIEMIRRPFDFPDSKEGQVRARLTFDGDHLATIVNMENNRQFGFFRLDPRLITMISSPNGEQRLFVPRSGFPDLLVDTLLATEDRHFYEHYSIGRATLTQQLVKNLFLSSERSYWRKANEAYMALIMDARYSKDRILELYMNEVYLGQSGDNEIRGFPLASLYYFGRPVEELSLDQQALLVGMVKGASIYNPWRNPKLALERRNLVLRLLQQQQIIDQELYDMLSARPLVQPRGGVISPQPAFMQLVRQELQAKLGDKVKDLSGVKIFTTFDSVAQDAAEKAAVEGIPALKKQRKLSDLETAIVVVDRFSGEVRAMVGGSEPQFAGYNRAMQARRSIGSLAKPATYLTALSQPKIYRLNTWIADAPIALRQPNGQVWSPQNDDRRYSESGRVMLVDALTRSMNVPTVNLGMALGLPAVTETWIKLGVPKDQLHPVPAMLLGALNLTPIEVAQAFQTIASGGNRAPLSALRSVIAEDGKVLYQSFPQAERAVPAQAAYLTLWTMQQVVQRGTGRQLGAKYPNLHLAGKTGTTNNNVDTWFAGIDGSTVTITWVGRDNNQPTKLYGASGAMSIYQRYLANQTPTPLNLVPPEDIADMGVDYDGNFVCSGGMRILPVWTSDPQSLCQQSEMQ input pdb |
| Peptide sequence | CGCLFVLP |
| 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) | 47.8539 | 3.78235 | 10.4111 | 181 |
| cluster_2.pdb ( medoid) | 23.4819 | 10.8168 | 60.6387 | 254 |
| cluster_3.pdb ( medoid) | 9.51718 | 15.0255 | 51.1947 | 143 |
| cluster_4.pdb ( medoid) | 6.69512 | 8.81238 | 40.3628 | 59 |
| cluster_5.pdb ( medoid) | 6.32559 | 10.5919 | 38.1668 | 67 |
| cluster_6.pdb ( medoid) | 5.6827 | 6.86293 | 29.9178 | 39 |
| cluster_7.pdb ( medoid) | 4.78198 | 13.3836 | 38.1274 | 64 |
| cluster_8.pdb ( medoid) | 4.25948 | 20.425 | 55.4978 | 87 |
| cluster_9.pdb ( medoid) | 4.0117 | 10.2201 | 28.3994 | 41 |
| cluster_10.pdb ( medoid) | 2.83754 | 11.9822 | 26.8349 | 34 |