| Protein sequence(s) | MVLSDKTPGSASYRISDNNFVQCGSNCTMIIDGDVVRGRPQDPGAAASPAMVLSDKTPGSASYRISDNNFVQCGSNCTMIIDGDVVRGRPQDPGAAASPA input pdb |
| Peptide sequence | RRRRVQVFGSNTYRR |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCEEECCCCCCCC |
| 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) | 28.4627 | 2.5999 | 24.2549 | 74 |
| cluster_2.pdb ( medoid) | 27.7844 | 3.63514 | 22.8344 | 101 |
| cluster_3.pdb ( medoid) | 27.1873 | 6.1058 | 19.3796 | 166 |
| cluster_4.pdb ( medoid) | 22.6454 | 7.46289 | 26.3185 | 169 |
| cluster_5.pdb ( medoid) | 18.7854 | 6.01532 | 28.1582 | 113 |
| cluster_6.pdb ( medoid) | 13.5251 | 5.02768 | 12.0107 | 68 |
| cluster_7.pdb ( medoid) | 13.2019 | 8.71084 | 26.148 | 115 |
| cluster_8.pdb ( medoid) | 12.6095 | 3.64804 | 10.0411 | 46 |
| cluster_9.pdb ( medoid) | 6.6743 | 13.6344 | 31.6828 | 91 |
| cluster_10.pdb ( medoid) | 6.46954 | 8.81052 | 25.4071 | 57 |