| Protein sequence(s) | VKDFLSQLRSSNRRFSIPESGQGGTEMDGFRRTIENQHSRNDVMVSEWLNKLNLEEPPSSVPKKCPSLTKRSRAQEEQVPQAWTAGTSSDSMAQPPQTPETSTFRNQMPSPTSTGTPSPGPRGNQGAERQGMNWSCRTPEPNPVTGRPLVNIYNCSGVQVGDNNYLTMQQTTALPTWGLAPSGKGRGLQHPPPVGSQEGPKDPEAWSRPQGWYNHSGK input pdb |
| Peptide sequence | RRRRVQLFGSNTYRR |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCEECCCCCCCCC |
| 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) | 29.9614 | 3.73815 | 22.432 | 112 |
| cluster_2.pdb ( medoid) | 18.109 | 8.17273 | 39.9701 | 148 |
| cluster_3.pdb ( medoid) | 16.3796 | 10.0124 | 35.2862 | 164 |
| cluster_4.pdb ( medoid) | 7.64733 | 17.2609 | 44.5016 | 132 |
| cluster_5.pdb ( medoid) | 6.46619 | 15.4651 | 34.2121 | 100 |
| cluster_6.pdb ( medoid) | 6.07568 | 16.6237 | 42.7295 | 101 |
| cluster_7.pdb ( medoid) | 5.86062 | 8.36088 | 34.6144 | 49 |
| cluster_8.pdb ( medoid) | 5.85842 | 15.3625 | 45.3771 | 90 |
| cluster_9.pdb ( medoid) | 3.62982 | 16.5298 | 31.196 | 60 |
| cluster_10.pdb ( medoid) | 2.59937 | 16.9272 | 42.9341 | 44 |