| Protein sequence(s) | VPVYDTCTVPGSFALTFDDGPYGFSTRLDSTLNAANAKGSFFINGQNWGCIYDYADVLLERFNNGHFIASHTWSHVHMNQGTYEQLSHQLELVEQAMIRILGVKPLYMRPPYGEYNDVVLQVLRDRGYKGLIMWNQDSGDTFTPTPSSAQIIDSYRSFPEKTISLNHEIKDFTVDQVIPAVIPILQQKGFSLQTVPECLGLSSDPADWYVRVQEPGTRDDSWTCE input pdb |
| Peptide sequence | GPIQISHNYNYGPCGR |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCCCCCCCCCCCCC |
| 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) | 51.9915 | 2.05803 | 16.8465 | 107 |
| cluster_2.pdb ( medoid) | 31.3178 | 4.78961 | 21.5486 | 150 |
| cluster_3.pdb ( medoid) | 26.233 | 6.97594 | 15.2966 | 183 |
| cluster_4.pdb ( medoid) | 21.5208 | 5.06487 | 21.364 | 109 |
| cluster_5.pdb ( medoid) | 20.6272 | 7.61132 | 40.4851 | 157 |
| cluster_6.pdb ( medoid) | 8.35238 | 7.42304 | 34.6951 | 62 |
| cluster_7.pdb ( medoid) | 7.45803 | 7.91093 | 14.2631 | 59 |
| cluster_8.pdb ( medoid) | 6.15612 | 12.6703 | 35.9032 | 78 |
| cluster_9.pdb ( medoid) | 5.46916 | 9.87354 | 19.3577 | 54 |
| cluster_10.pdb ( medoid) | 4.748 | 8.63522 | 16.6562 | 41 |