| Protein sequence(s) | KRQWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEHQLRREVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSAGELKIADFGWSVHAPSSRRTTLCGTLDYLPPEMIEGRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQETYKRISRVEFTFPDFVTEGARDLISRLLKHNPSQRPMLREVLEHPWITANSSK input pdb |
| Peptide sequence | SASADAPSDAINASS |
| 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) | 36.127 | 3.0725 | 11.8513 | 111 |
| cluster_2.pdb ( medoid) | 34.1643 | 2.31236 | 4.58695 | 79 |
| cluster_3.pdb ( medoid) | 29.518 | 4.06531 | 8.01228 | 120 |
| cluster_4.pdb ( medoid) | 22.7761 | 3.02949 | 5.9345 | 69 |
| cluster_5.pdb ( medoid) | 21.068 | 8.97093 | 20.0377 | 189 |
| cluster_6.pdb ( medoid) | 17.1874 | 8.61095 | 19.7403 | 148 |
| cluster_7.pdb ( medoid) | 15.0798 | 7.22821 | 21.3241 | 109 |
| cluster_8.pdb ( medoid) | 13.2068 | 6.28464 | 14.8078 | 83 |
| cluster_9.pdb ( medoid) | 8.84229 | 7.35103 | 30.5897 | 65 |
| cluster_10.pdb ( medoid) | 3.07526 | 8.77975 | 25.1404 | 27 |