| Protein sequence(s) | VKDFLSQLRSSNRRFSIPESGQGGTEMDGFRRTIENQHSRNDVMVSEWLNKLNLEEPPSSVPKKCPSLTKRSRAQEEQVPQAWTAGTSSDSMAQPPQTPETSTFRNQMPSPTSTGTPSPGPRGNQGAERQGMNWSCRTPEPNPVTGRPLVNIYNCSGVQVGDNNYLTMQQTTALPTWGLAPSGKGRGLQHPPPVGSQEGPKDPEAWSRPQGWYNHSGK input pdb |
| Peptide sequence | HRHRHVQLFGYRHRHRH |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | 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) | 20.9097 | 7.17371 | 32.2996 | 150 |
| cluster_2.pdb ( medoid) | 18.0619 | 12.4572 | 28.9185 | 225 |
| cluster_3.pdb ( medoid) | 15.2341 | 7.54887 | 27.2518 | 115 |
| cluster_4.pdb ( medoid) | 12.2218 | 9.32758 | 24.1049 | 114 |
| cluster_5.pdb ( medoid) | 7.83463 | 13.7849 | 25.4552 | 108 |
| cluster_6.pdb ( medoid) | 6.28444 | 13.8437 | 33.0555 | 87 |
| cluster_7.pdb ( medoid) | 5.26372 | 11.9687 | 31.7026 | 63 |
| cluster_8.pdb ( medoid) | 3.88965 | 12.0833 | 24.8134 | 47 |
| cluster_9.pdb ( medoid) | 3.76267 | 15.9461 | 30.7764 | 60 |
| cluster_10.pdb ( medoid) | 2.50462 | 12.3771 | 20.2355 | 31 |