| Protein sequence(s) | TVSLWETVQKWREYRRQCQRSLTEDPPPATDLFCNRTFDEYACWPDGEPGSFVNVSCPWYLPWASSVPQGHVYRFCTAEGLWLQKDNSSLPWRDLSECEESSPEEQLLFLYIIYTVGYALSFSALVIASAILLGFRHLHCTRNYIHLNLFASFILRALCVFFKDAALKWMYSTAAQQHQWDGLLSYQDSLACRLVFLLCQYCVAANYYWLLVEGVYLYTLLAFMKKYTCTVCGYIYNPEDGDPDNGVNPGTDFKDIPDDWVCPLCGVGKDQFEEVEEEQWIFRLYVAIGWGVPLLFVVPWGIVKYLYEDEGCWTRNSNMNYWLIIRLPILFACIVNFLIFVRVICIVVSKLKANLMCKTDIAFRLAKSTLTLIPLLCTHEVIFAFVMDEHARGTLRFIKLFTDLSFTSFQGLMVAILYCFVNNEVQLEFRKSWERWR input pdb |
| Peptide sequence | YRAPQYQMYDDVQFVKRSNA |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCCCCCCCCHHHHHHCCC |
| 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) | 187.25 | 0.534045 | 1.25905 | 100 |
| cluster_2.pdb ( medoid) | 52.1379 | 1.93717 | 19.3764 | 101 |
| cluster_3.pdb ( medoid) | 30.4245 | 3.3197 | 25.833 | 101 |
| cluster_4.pdb ( medoid) | 30.2224 | 3.3088 | 7.99684 | 100 |
| cluster_5.pdb ( medoid) | 21.0161 | 8.61246 | 44.5989 | 181 |
| cluster_6.pdb ( medoid) | 9.63873 | 12.4498 | 29.4834 | 120 |
| cluster_7.pdb ( medoid) | 7.35075 | 6.39391 | 27.8376 | 47 |
| cluster_8.pdb ( medoid) | 4.71089 | 23.5624 | 58.9269 | 111 |
| cluster_9.pdb ( medoid) | 3.31702 | 22.6106 | 62.3786 | 75 |
| cluster_10.pdb ( medoid) | 3.25224 | 15.6815 | 30.9799 | 51 |