| Protein sequence(s) | GSSHSMRYFFTSVSRPGRGEPRFIAVVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDQETRNVKAQSSQQTDRVDLGTLRGYYNQSEAGSHTIQIMYGCDVGSDGRFLRGYRQDAYDGKDYIALNEDLRSWTAADMAAQITKRKWEAAHEAEQLRAYLDGTCVEWLRRYLENGKETLQRTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRW input pdb |
| Peptide sequence | HRDSVDSAPILTAFNSSHKGRI |
| Simulation mc cycles | 200 |
| Peptide secondary structure psipred | CCCCCCCCCCHHHCCCCCCCCC |
| 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) | 42.1303 | 5.03201 | 64.6865 | 212 |
| cluster_2.pdb ( medoid) | 21.1992 | 5.80212 | 34.8419 | 123 |
| cluster_3.pdb ( medoid) | 11.3028 | 11.3246 | 53.6242 | 128 |
| cluster_4.pdb ( medoid) | 9.46269 | 9.7224 | 23.5532 | 92 |
| cluster_5.pdb ( medoid) | 8.74992 | 15.7716 | 66.6303 | 138 |
| cluster_6.pdb ( medoid) | 7.9703 | 11.9193 | 44.2102 | 95 |
| cluster_7.pdb ( medoid) | 7.22095 | 8.17067 | 20.9621 | 59 |
| cluster_8.pdb ( medoid) | 5.27617 | 14.7834 | 44.4894 | 78 |
| cluster_9.pdb ( medoid) | 2.57364 | 10.8795 | 23.7058 | 28 |
| cluster_10.pdb ( medoid) | 1.63582 | 27.5091 | 50.6258 | 45 |