| Protein sequence(s) | DWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYKHLHASETKFEMKKLIDIARQTARGMDYLHAKSIIHRRDLKSNNIFLHEDNNTVKIGDFGLATVKSRWSGSHQFEQLSGSILWMAPEVIRMQDSNPYSFQSDVYAFGIVLYELMTGQLPYSNINNNRDQIIEMVGRGSLSPDLSKVRSNCPKRMKRLMAEECLKKKRDERPSFPRILAEIEELARE input pdb |
| Peptide sequence | VLRKTRHVNILLFMG |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCCCEEEEEEEEC |
| 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) | 73.5515 | 1.35959 | 3.23758 | 100 |
| cluster_2.pdb ( medoid) | 42.3858 | 3.32659 | 8.45692 | 141 |
| cluster_3.pdb ( medoid) | 21.9105 | 5.97886 | 10.7293 | 131 |
| cluster_4.pdb ( medoid) | 20.3114 | 6.10494 | 18.0689 | 124 |
| cluster_5.pdb ( medoid) | 18.8331 | 6.37175 | 15.9652 | 120 |
| cluster_6.pdb ( medoid) | 17.1616 | 4.83638 | 15.9127 | 83 |
| cluster_7.pdb ( medoid) | 15.9909 | 8.62993 | 23.9678 | 138 |
| cluster_8.pdb ( medoid) | 12.6077 | 6.34531 | 17.1355 | 80 |
| cluster_9.pdb ( medoid) | 6.49434 | 6.15921 | 37.0934 | 40 |
| cluster_10.pdb ( medoid) | 5.50968 | 7.80444 | 16.5882 | 43 |