| Protein sequence(s) | LAIVFAVLIAIYGVYLDQKIRSRIDGKVWQLPAAVYGRMVNLEPDMTISKNEMVKLLEATQYRQVSKMTRPGEFTVQANSIEMIRRPFDFPDSKEGQVRARLTFDGDHLATIVNMENNRQFGFFRLDPRLITMISSPNGEQRLFVPRSGFPDLLVDTLLATEDRHFYEHYSIGRATLTQQLVKNLFLSSERSYWRKANEAYMALIMDARYSKDRILELYMNEVYLGQSGDNEIRGFPLASLYYFGRPVEELSLDQQALLVGMVKGASIYNPWRNPKLALERRNLVLRLLQQQQIIDQELYDMLSARPLVQPRGGVISPQPAFMQLVRQELQAKLGDKVKDLSGVKIFTTFDSVAQDAAEKAAVEGIPALKKQRKLSDLETAIVVVDRFSGEVRAMVGGSEPQFAGYNRAMQARRSIGSLAKPATYLTALSQPKIYRLNTWIADAPIALRQPNGQVWSPQNDDRRYSESGRVMLVDALTRSMNVPTVNLGMALGLPAVTETWIKLGVPKDQLHPVPAMLLGALNLTPIEVAQAFQTIASGGNRAPLSALRSVIAEDGKVLYQSFPQAERAVPAQAAYLTLWTMQQVVQRGTGRQLGAKYPNLHLAGKTGTTNNNVDTWFAGIDGSTVTITWVGRDNNQPTKLYGASGAMSIYQRYLANQTPTPLNLVPPEDIADMGVDYDGNFVCSGGMRILPVWTSDPQSLCQQSEMQ input pdb |
| Peptide sequence | GGGG |
| 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) | 63.2 | 1.81962 | 9.20588 | 115 |
| cluster_2.pdb ( medoid) | 15.2431 | 13.3831 | 71.4145 | 204 |
| cluster_3.pdb ( medoid) | 12.3305 | 4.6227 | 22.5584 | 57 |
| cluster_4.pdb ( medoid) | 7.96 | 12.0603 | 46.236 | 96 |
| cluster_5.pdb ( medoid) | 6.04516 | 8.60192 | 40.7039 | 52 |
| cluster_6.pdb ( medoid) | 5.99751 | 6.5027 | 30.7503 | 39 |
| cluster_7.pdb ( medoid) | 5.4191 | 3.69065 | 10.5787 | 20 |
| cluster_8.pdb ( medoid) | 1.98233 | 21.1872 | 50.5853 | 42 |
| cluster_9.pdb ( medoid) | 1.84459 | 14.6374 | 42.1181 | 27 |
| cluster_10.pdb ( medoid) | 1.26043 | 32.5287 | 62.6729 | 41 |