| Protein sequence(s) | GSSHSMRYFFTSVSRPGRGEPRFIAVVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDQETRNVKAQSSQQTDRVDLGTLRGYYNQSEAGSHTIQIMYGCDVGSDGRFLRGYRQDAYDGKDYIALNEDLRSWTAADMAAQITKRKWEAAHEAEQLRAYLDGTCVEWLRRYLENGKETLQRTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRW input pdb |
| Peptide sequence | EMGFKHINHQVVPTLAVSKNKAL |
| Simulation mc cycles | 200 |
| Peptide secondary structure psipred | CCCCCCCCCCCCCEEEEECCCCC |
| 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) | 91.3114 | 1.09515 | 5.03086 | 100 |
| cluster_2.pdb ( medoid) | 57.0854 | 3.57359 | 18.3102 | 204 |
| cluster_3.pdb ( medoid) | 37.1048 | 3.69224 | 10.0571 | 137 |
| cluster_4.pdb ( medoid) | 24.1256 | 4.39367 | 13.1508 | 106 |
| cluster_5.pdb ( medoid) | 9.93545 | 12.5812 | 40.855 | 125 |
| cluster_6.pdb ( medoid) | 5.60304 | 9.28068 | 39.6307 | 52 |
| cluster_7.pdb ( medoid) | 4.2038 | 11.6561 | 46.7712 | 49 |
| cluster_8.pdb ( medoid) | 3.74685 | 19.2162 | 53.9203 | 72 |
| cluster_9.pdb ( medoid) | 2.52496 | 18.6142 | 56.0725 | 47 |
| cluster_10.pdb ( medoid) | 0.980455 | 23.4585 | 51.0304 | 23 |