| Protein sequence(s) | KRQWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEHQLRREVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSAGELKIADFGWSVHAPSSRRTTLCGTLDYLPPEMIEGRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQETYKRISRVEFTFPDFVTEGARDLISRLLKHNPSQRPMLREVLEHPWITANSSK input pdb |
| Peptide sequence | SYSYDAPSDFINFSS |
| Simulation mc cycles | 50 |
| Peptide secondary structure | CCCCCCCCCCCCCCC |
| 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) | 48.8894 | 2.84315 | 31.0223 | 139 |
| cluster_2.pdb ( medoid) | 30.0905 | 5.25082 | 29.9421 | 158 |
| cluster_3.pdb ( medoid) | 21.4658 | 4.23931 | 10.1148 | 91 |
| cluster_4.pdb ( medoid) | 20.7506 | 3.71074 | 23.1904 | 77 |
| cluster_5.pdb ( medoid) | 13.6467 | 5.86221 | 29.1375 | 80 |
| cluster_6.pdb ( medoid) | 12.5903 | 5.48042 | 10.0519 | 69 |
| cluster_7.pdb ( medoid) | 10.2514 | 13.5592 | 34.5378 | 139 |
| cluster_8.pdb ( medoid) | 9.95559 | 11.25 | 49.5951 | 112 |
| cluster_9.pdb ( medoid) | 5.07439 | 11.627 | 37.8325 | 59 |
| cluster_10.pdb ( medoid) | 4.61054 | 16.484 | 34.948 | 76 |