| Protein sequence(s) | KRQWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEHQLRREVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSAGELKIADFGWSVHAPSSRRTTLCGTLDYLPPEMIEGRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQETYKRISRVEFTFPDFVTEGARDLISRLLKHNPSQRPMLREVLEHPWITANSSK input pdb |
| Peptide sequence | KSYSYDAPSDFINFSSK |
| Simulation mc cycles | 50 |
| Peptide secondary structure | CCCCCCCCCCCCCCCCC |
| 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) | 54.687 | 2.23088 | 12.5928 | 122 |
| cluster_2.pdb ( medoid) | 34.4773 | 2.92946 | 29.0841 | 101 |
| cluster_3.pdb ( medoid) | 30.8459 | 4.47385 | 12.3189 | 138 |
| cluster_4.pdb ( medoid) | 26.0395 | 3.6099 | 10.9979 | 94 |
| cluster_5.pdb ( medoid) | 23.5642 | 6.19583 | 14.3837 | 146 |
| cluster_6.pdb ( medoid) | 19.7608 | 3.64357 | 13.8989 | 72 |
| cluster_7.pdb ( medoid) | 18.2128 | 9.4988 | 41.4937 | 173 |
| cluster_8.pdb ( medoid) | 12.2695 | 4.72715 | 12.7248 | 58 |
| cluster_9.pdb ( medoid) | 4.5848 | 16.1403 | 38.6359 | 74 |
| cluster_10.pdb ( medoid) | 1.59165 | 13.8221 | 27.2279 | 22 |