| Protein sequence(s) | DWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYKHLHASETKFEMKKLIDIARQTARGMDYLHAKSIIHRRDLKSNNIFLHEDNNTVKIGDFGLATVKSRWSGSHQFEQLSGSILWMAPEVIRMQDSNPYSFQSDVYAFGIVLYELMTGQLPYSNINNNRDQIIEMVGRGSLSPDLSKVRSNCPKRMKRLMAEECLKKKRDERPSFPRILAEIEELAREDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYKHLHASETKFEMKKLIDIARQTARGMDYLHAKSIIHRRDLKSNNIFLHEDNNTVKIGDFGLATVKSRWSGSHQFEQLSGSILWMAPEVIRMQDSNPYSFQSDVYAFGIVLYELMTGQLPYSNINNNRDQIIEMVGRGSLSPDLSKVRSNCPKRMKRLMAEECLKKKRDERPSFPRILAEIEELARE input pdb |
| Peptide sequence | KTRHVNILLFM |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCEEEEEEEC |
| 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) | 48.6477 | 2.54894 | 11.8016 | 124 |
| cluster_2.pdb ( medoid) | 28.941 | 4.76833 | 29.105 | 138 |
| cluster_3.pdb ( medoid) | 26.9923 | 3.74181 | 29.9328 | 101 |
| cluster_4.pdb ( medoid) | 21.9898 | 9.27704 | 48.521 | 204 |
| cluster_5.pdb ( medoid) | 19.9293 | 4.86721 | 25.9422 | 97 |
| cluster_6.pdb ( medoid) | 18.2557 | 6.40896 | 41.1297 | 117 |
| cluster_7.pdb ( medoid) | 8.73067 | 10.423 | 32.1703 | 91 |
| cluster_8.pdb ( medoid) | 3.44663 | 12.476 | 27.121 | 43 |
| cluster_9.pdb ( medoid) | 3.40081 | 17.3488 | 45.0418 | 59 |
| cluster_10.pdb ( medoid) | 1.61172 | 16.1319 | 33.7742 | 26 |