| Protein sequence(s) | VKDFLSQLRSSNRRFSIPESGQGGTEMDGFRRTIENQHSRNDVMVSEWLNKLNLEEPPSSVPKKCPSLTKRSRAQEEQVPQAWTAGTSSDSMAQPPQTPETSTFRNQMPSPTSTGTPSPGPRGNQGAERQGMNWSCRTPEPNPVTGRPLVNIYNCSGVQVGDNNYLTMQQTTALPTWGLAPSGKGRGLQHPPPVGSQEGPKDPEAWSRPQGWYNHSGK input pdb |
| Peptide sequence | RRMKWKKVQLFGSNDA |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCCEEEECCCCCCC |
| 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) | 20.5543 | 5.64359 | 32.6597 | 116 |
| cluster_2.pdb ( medoid) | 16.462 | 5.40639 | 27.4801 | 89 |
| cluster_3.pdb ( medoid) | 14.3764 | 9.59907 | 42.4882 | 138 |
| cluster_4.pdb ( medoid) | 9.26969 | 10.7878 | 35.5431 | 100 |
| cluster_5.pdb ( medoid) | 8.77537 | 11.7374 | 38.31 | 103 |
| cluster_6.pdb ( medoid) | 6.44251 | 16.6084 | 61.5672 | 107 |
| cluster_7.pdb ( medoid) | 6.42321 | 21.4846 | 49.8443 | 138 |
| cluster_8.pdb ( medoid) | 5.57807 | 12.1906 | 27.9623 | 68 |
| cluster_9.pdb ( medoid) | 4.52258 | 17.0257 | 45.2674 | 77 |
| cluster_10.pdb ( medoid) | 3.85579 | 16.5984 | 37.8117 | 64 |