| Protein sequence(s) | VKDFLSQLRSSNRRFSIPESGQGGTEMDGFRRTIENQHSRNDVMVSEWLNKLNLEEPPSSVPKKCPSLTKRSRAQEEQVPQAWTAGTSSDSMAQPPQTPETSTFRNQMPSPTSTGTPSPGPRGNQGAERQGMNWSCRTPEPNPVTGRPLVNIYNCSGVQVGDNNYLTMQQTTALPTWGLAPSGKGRGLQHPPPVGSQEGPKDPEAWSRPQGWYNHSGK input pdb |
| Peptide sequence | RRRWKPVQLFGSNDA |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | 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) | 21.2834 | 5.49724 | 39.8155 | 117 |
| cluster_2.pdb ( medoid) | 20.9507 | 6.10959 | 31.4233 | 128 |
| cluster_3.pdb ( medoid) | 12.7516 | 10.3516 | 26.0641 | 132 |
| cluster_4.pdb ( medoid) | 10.7519 | 9.30064 | 30.6875 | 100 |
| cluster_5.pdb ( medoid) | 9.82442 | 8.85549 | 30.5293 | 87 |
| cluster_6.pdb ( medoid) | 7.95174 | 16.4744 | 46.0346 | 131 |
| cluster_7.pdb ( medoid) | 7.79075 | 10.6537 | 23.1127 | 83 |
| cluster_8.pdb ( medoid) | 6.6369 | 15.218 | 36.9906 | 101 |
| cluster_9.pdb ( medoid) | 5.53837 | 9.38905 | 35.7055 | 52 |
| cluster_10.pdb ( medoid) | 3.39182 | 20.343 | 45.5463 | 69 |