| Protein sequence(s) | SCPSLIDVVVVCDESNSIYPWDAVKNFLEKFVQGLDIGPTKTQVGLIQYANNPRVVFNLNTYKTKEEMIVATSQTSQYGGDLTNTFGAIQYARKYAYSAASGGRRSATKVMVVVTDGESHDGSMLKAVIDQCNHDNILRFGIAVLGYLNRNALDTKNLIKEIKAIASIPTERYFFNVSDEAALLEKAGTLGEQIFSIEGGTRSSCPSLIDVVVVCDESNSIYPWDAVKNFLEKFVQGLDIGPTKTQVGLIQYANNPRVVFNLNTYKTKEEMIVATSQTSQYGGDLTNTFGAIQYARKYAYSAASGGRRSATKVMVVVTDGESHDGSMLKAVIDQCNHDNILRFGIAVLGYLNRNALDTKNLIKEIKAIASIPTERYFFNVSDEAALLEKAGTLGEQIFSIEG input pdb |
| Peptide sequence | DGEA |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCC |
| 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) | 30.1613 | 3.38182 | 26.0103 | 102 |
| cluster_2.pdb ( medoid) | 20.8036 | 6.1047 | 26.6303 | 127 |
| cluster_3.pdb ( medoid) | 20.0459 | 8.03157 | 40.8024 | 161 |
| cluster_4.pdb ( medoid) | 18.6771 | 5.35414 | 18.8999 | 100 |
| cluster_5.pdb ( medoid) | 12.6723 | 11.679 | 33.798 | 148 |
| cluster_6.pdb ( medoid) | 11.2747 | 6.91817 | 31.4649 | 78 |
| cluster_7.pdb ( medoid) | 8.63801 | 8.56678 | 26.7504 | 74 |
| cluster_8.pdb ( medoid) | 5.7281 | 16.5849 | 45.516 | 95 |
| cluster_9.pdb ( medoid) | 3.99232 | 19.0365 | 42.8504 | 76 |
| cluster_10.pdb ( medoid) | 2.58931 | 15.0619 | 37.9693 | 39 |