| Protein sequence(s) | MVLSDKTPGSASYRISDNNFVQCGSNCTMIIDGDVVRGRPQDPGAAASPAMVLSDKTPGSASYRISDNNFVQCGSNCTMIIDGDVVRGRPQDPGAAASPA input pdb |
| Peptide sequence | RRRVQLFGSNDARRYHHHHHHHHHHH |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCEEEECCCCHHHHCCCCCCCCCCC |
| 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) | 27.5833 | 3.73414 | 19.514 | 103 |
| cluster_2.pdb ( medoid) | 22.21 | 6.52859 | 23.078 | 145 |
| cluster_3.pdb ( medoid) | 20.897 | 5.55102 | 23.0051 | 116 |
| cluster_4.pdb ( medoid) | 18.5319 | 5.93572 | 26.5297 | 110 |
| cluster_5.pdb ( medoid) | 15.7835 | 11.531 | 27.7163 | 182 |
| cluster_6.pdb ( medoid) | 9.91327 | 8.57436 | 20.7766 | 85 |
| cluster_7.pdb ( medoid) | 8.82484 | 11.6716 | 26.3099 | 103 |
| cluster_8.pdb ( medoid) | 5.62529 | 9.5995 | 24.664 | 54 |
| cluster_9.pdb ( medoid) | 5.39178 | 11.128 | 21.9108 | 60 |
| cluster_10.pdb ( medoid) | 3.52584 | 11.9121 | 23.5022 | 42 |