| 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) | 62.958 | 1.22304 | 6.66366 | 77 |
| cluster_2.pdb ( medoid) | 49.8315 | 3.85299 | 9.2804 | 192 |
| cluster_3.pdb ( medoid) | 33.5132 | 2.86455 | 5.67291 | 96 |
| cluster_4.pdb ( medoid) | 31.5193 | 5.99633 | 24.2653 | 189 |
| cluster_5.pdb ( medoid) | 20.6507 | 4.84245 | 25.843 | 100 |
| cluster_6.pdb ( medoid) | 19.7505 | 1.7721 | 5.81605 | 35 |
| cluster_7.pdb ( medoid) | 16.9826 | 6.00614 | 32.26 | 102 |
| cluster_8.pdb ( medoid) | 13.0662 | 5.43388 | 11.7875 | 71 |
| cluster_9.pdb ( medoid) | 9.03426 | 7.30552 | 26.7455 | 66 |
| cluster_10.pdb ( medoid) | 3.73702 | 19.2667 | 40.9114 | 72 |