| Protein sequence(s) | LAIVFAVLIAIYGVYLDQKIRSRIDGKVWQLPAAVYGRMVNLEPDMTISKNEMVKLLEATQYRQVSKMTRPGEFTVQANSIEMIRRPFDFPDSKEGQVRARLTFDGDHLATIVNMENNRQFGFFRLDPRLITMISSPNGEQRLFVPRSGFPDLLVDTLLATEDRHFYEHYSIGRATLTQQLVKNLFLSSERSYWRKANEAYMALIMDARYSKDRILELYMNEVYLGQSGDNEIRGFPLASLYYFGRPVEELSLDQQALLVGMVKGASIYNPWRNPKLALERRNLVLRLLQQQQIIDQELYDMLSARPLVQPRGGVISPQPAFMQLVRQELQAKLGDKVKDLSGVKIFTTFDSVAQDAAEKAAVEGIPALKKQRKLSDLETAIVVVDRFSGEVRAMVGGSEPQFAGYNRAMQARRSIGSLAKPATYLTALSQPKIYRLNTWIADAPIALRQPNGQVWSPQNDDRRYSESGRVMLVDALTRSMNVPTVNLGMALGLPAVTETWIKLGVPKDQLHPVPAMLLGALNLTPIEVAQAFQTIASGGNRAPLSALRSVIAEDGKVLYQSFPQAERAVPAQAAYLTLWTMQQVVQRGTGRQLGAKYPNLHLAGKTGTTNNNVDTWFAGIDGSTVTITWVGRDNNQPTKLYGASGAMSIYQRYLANQTPTPLNLVPPEDIADMGVDYDGNFVCSGGMRILPVWTSDPQSLCQQSEMQ input pdb |
| Peptide sequence | GPPL |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCC |
| 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) | 38.4995 | 5.94813 | 39.0222 | 229 |
| cluster_2.pdb ( medoid) | 38.0673 | 4.99117 | 26.0382 | 190 |
| cluster_3.pdb ( medoid) | 12.7667 | 7.28458 | 35.9537 | 93 |
| cluster_4.pdb ( medoid) | 9.78303 | 9.91513 | 40.6394 | 97 |
| cluster_5.pdb ( medoid) | 9.26524 | 6.90754 | 28.613 | 64 |
| cluster_6.pdb ( medoid) | 6.09933 | 12.4604 | 47.7308 | 76 |
| cluster_7.pdb ( medoid) | 2.87178 | 18.8036 | 53.0062 | 54 |
| cluster_8.pdb ( medoid) | 1.76536 | 18.693 | 48.7548 | 33 |
| cluster_9.pdb ( medoid) | 1.5555 | 16.7148 | 38.602 | 26 |
| cluster_10.pdb ( medoid) | 0.877589 | 25.0687 | 62.974 | 22 |