| 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) | 38.0827 | 5.40928 | 27.9348 | 206 |
| cluster_2.pdb ( medoid) | 33.0182 | 3.51321 | 18.9226 | 116 |
| cluster_3.pdb ( medoid) | 32.6579 | 3.79694 | 24.304 | 124 |
| cluster_4.pdb ( medoid) | 22.3657 | 2.7721 | 11.1791 | 62 |
| cluster_5.pdb ( medoid) | 19.3468 | 6.04751 | 16.9999 | 117 |
| cluster_6.pdb ( medoid) | 14.4585 | 8.29963 | 28.8774 | 120 |
| cluster_7.pdb ( medoid) | 12.0112 | 8.24231 | 20.3094 | 99 |
| cluster_8.pdb ( medoid) | 3.4196 | 16.6686 | 41.4913 | 57 |
| cluster_9.pdb ( medoid) | 3.38562 | 19.4942 | 43.17 | 66 |
| cluster_10.pdb ( medoid) | 2.78026 | 11.8694 | 33.2734 | 33 |