| Protein sequence(s) | GSHSMRYFSTSVSRPGSGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQERPEYWDQETRNVKAHSQTDRENLGTLRGYYNQSEAGSHTIQIMYGCDVGSDGRFLRGYEQHAYDGKDYIALNEDLRSWTAADMAAQITQRKWEAARRAEQLRAYLEGTCVEWLRRYLENGKETLQRTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWEIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM input pdb |
| Peptide sequence | RTAFVNSVY |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCCCCCC |
| 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) | 42.5691 | 3.7351 | 22.8944 | 159 |
| cluster_2.pdb ( medoid) | 42.172 | 2.41867 | 25.1856 | 102 |
| cluster_3.pdb ( medoid) | 32.1832 | 3.63544 | 33.959 | 117 |
| cluster_4.pdb ( medoid) | 21.3834 | 4.86358 | 18.3074 | 104 |
| cluster_5.pdb ( medoid) | 18.6148 | 5.58695 | 24.6096 | 104 |
| cluster_6.pdb ( medoid) | 16.8864 | 9.06055 | 41.3475 | 153 |
| cluster_7.pdb ( medoid) | 9.07266 | 10.0301 | 24.7688 | 91 |
| cluster_8.pdb ( medoid) | 4.65456 | 14.6093 | 47.2759 | 68 |
| cluster_9.pdb ( medoid) | 4.18235 | 14.5851 | 42.3016 | 61 |
| cluster_10.pdb ( medoid) | 2.69084 | 15.2369 | 39.6737 | 41 |