| Protein sequence(s) | MSRIILFAAILAIIAVSANGASNLPALDMASIPDEYKDLVPPEVTTFYNELTEDDKKILKEVAEKHSEYATDEDALNALKEKSEKLYTKANELRNLVKDRISKLNPEAKTFVDTIIEKLKALRPKEDEKPNLTELRKEANEIVEKFKALSEEAKESLKTNFPKITGVIQNEKFQKLAQSLLKPEGAAAPA input pdb |
| Peptide sequence | SFGDGFADF |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCCCCCC |
| 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) | 53.9543 | 2.37238 | 6.47092 | 128 |
| cluster_2.pdb ( medoid) | 35.7732 | 6.90461 | 30.4727 | 247 |
| cluster_3.pdb ( medoid) | 27.6176 | 6.01066 | 36.5854 | 166 |
| cluster_4.pdb ( medoid) | 14.482 | 7.31941 | 20.3608 | 106 |
| cluster_5.pdb ( medoid) | 10.1827 | 10.017 | 24.1149 | 102 |
| cluster_6.pdb ( medoid) | 7.7791 | 11.9551 | 33.7779 | 93 |
| cluster_7.pdb ( medoid) | 6.71372 | 10.1285 | 31.5439 | 68 |
| cluster_8.pdb ( medoid) | 3.15101 | 10.7902 | 19.4993 | 34 |
| cluster_9.pdb ( medoid) | 3.07989 | 10.39 | 19.9158 | 32 |
| cluster_10.pdb ( medoid) | 2.21559 | 10.8323 | 22.5566 | 24 |