| Protein sequence(s) | MVLSDKTPGSASYRISDNNFVQCGSNCTMIIDGDVVRGRPQDPGAAASPAMVLSDKTPGSASYRISDNNFVQCGSNCTMIIDGDVVRGRPQDPGAAASPA input pdb |
| Peptide sequence | VQLFGYHHHHHHHHHHH |
| 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) | 34.8911 | 3.35329 | 9.84335 | 117 |
| cluster_2.pdb ( medoid) | 34.6715 | 6.95095 | 23.9252 | 241 |
| cluster_3.pdb ( medoid) | 23.8902 | 2.80449 | 11.0838 | 67 |
| cluster_4.pdb ( medoid) | 21.3049 | 9.62218 | 33.3537 | 205 |
| cluster_5.pdb ( medoid) | 12.0551 | 5.7237 | 10.6214 | 69 |
| cluster_6.pdb ( medoid) | 10.8591 | 5.70948 | 13.097 | 62 |
| cluster_7.pdb ( medoid) | 9.13549 | 4.26907 | 10.3076 | 39 |
| cluster_8.pdb ( medoid) | 7.75386 | 10.8333 | 29.5914 | 84 |
| cluster_9.pdb ( medoid) | 7.23479 | 8.5697 | 22.4687 | 62 |
| cluster_10.pdb ( medoid) | 3.36096 | 16.0669 | 28.0119 | 54 |