| Protein sequence(s) | MSRIILFAAILAIIAVSANGASNLPALDMASIPDEYKDLVPPEVTTFYNELTEDDKKILKEVAEKHSEYATDEDALNALKEKSEKLYTKANELRNLVKDRISKLNPEAKTFVDTIIEKLKALRPKEDEKPNLTELRKEANEIVEKFKALSEEAKESLKTNFPKITGVIQNEKFQKLAQSLLKPEGAAAPA input pdb |
| Peptide sequence | RRWQWRMKKLG |
| Simulation mc cycles | 100 |
| Peptide secondary structure psipred | CCCCCCCCCCC |
| 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) | 121.348 | 0.832316 | 19.7432 | 101 |
| cluster_2.pdb ( medoid) | 37.2075 | 2.71451 | 22.627 | 101 |
| cluster_3.pdb ( medoid) | 29.7607 | 6.92189 | 30.9046 | 206 |
| cluster_4.pdb ( medoid) | 18.2417 | 6.52351 | 30.8656 | 119 |
| cluster_5.pdb ( medoid) | 12.643 | 6.80217 | 31.6759 | 86 |
| cluster_6.pdb ( medoid) | 11.6628 | 8.66002 | 24.4999 | 101 |
| cluster_7.pdb ( medoid) | 9.5144 | 11.4563 | 33.7557 | 109 |
| cluster_8.pdb ( medoid) | 8.89975 | 7.30357 | 23.0539 | 65 |
| cluster_9.pdb ( medoid) | 6.75906 | 11.2442 | 23.5749 | 76 |
| cluster_10.pdb ( medoid) | 2.97928 | 12.0835 | 29.6724 | 36 |