| 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) | 38.7076 | 2.99682 | 33.5755 | 116 |
| cluster_2.pdb ( medoid) | 34.9136 | 3.92397 | 16.622 | 137 |
| cluster_3.pdb ( medoid) | 24.3956 | 5.12387 | 12.3943 | 125 |
| cluster_4.pdb ( medoid) | 19.3641 | 5.93883 | 28.4693 | 115 |
| cluster_5.pdb ( medoid) | 15.7685 | 7.92721 | 37.217 | 125 |
| cluster_6.pdb ( medoid) | 15.3115 | 3.91862 | 7.59994 | 60 |
| cluster_7.pdb ( medoid) | 10.0592 | 9.44406 | 31.4286 | 95 |
| cluster_8.pdb ( medoid) | 8.59784 | 6.04803 | 15.2922 | 52 |
| cluster_9.pdb ( medoid) | 5.21135 | 16.6943 | 37.8695 | 87 |
| cluster_10.pdb ( medoid) | 5.09744 | 17.2636 | 35.5817 | 88 |