| Protein sequence(s) | VKDFLSQLRSSNRRFSIPESGQGGTEMDGFRRTIENQHSRNDVMVSEWLNKLNLEEPPSSVPKKCPSLTKRSRAQEEQVPQAWTAGTSSDSMAQPPQTPETSTFRNQMPSPTSTGTPSPGPRGNQGAERQGMNWSCRTPEPNPVTGRPLVNIYNCSGVQVGDNNYLTMQQTTALPTWGLAPSGKGRGLQHPPPVGSQEGPKDPEAWSRPQGWYNHSGK input pdb |
| Peptide sequence | KRLVQVFGSNTYRLK |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCEEECCCCCEECC |
| 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) | 19.5934 | 6.17555 | 40.1199 | 121 |
| cluster_2.pdb ( medoid) | 18.6859 | 6.9571 | 49.2738 | 130 |
| cluster_3.pdb ( medoid) | 14.4964 | 10.5544 | 39.9738 | 153 |
| cluster_4.pdb ( medoid) | 9.65444 | 13.3617 | 30.6105 | 129 |
| cluster_5.pdb ( medoid) | 8.60591 | 11.5037 | 28.469 | 99 |
| cluster_6.pdb ( medoid) | 5.80614 | 16.5342 | 39.6494 | 96 |
| cluster_7.pdb ( medoid) | 5.78827 | 16.067 | 36.6672 | 93 |
| cluster_8.pdb ( medoid) | 4.35923 | 13.5345 | 32.0454 | 59 |
| cluster_9.pdb ( medoid) | 3.92281 | 15.5501 | 34.893 | 61 |
| cluster_10.pdb ( medoid) | 3.57633 | 16.4974 | 37.0311 | 59 |