| Protein sequence(s) | GSHSLRYFYTAVSRPGLGEPRFIIVGYVDDTQFVRFDSDAGDPRVEPRARWVEQEGPEYWDQETRKAKDHAQFFRLGLNTLRGYYNQSEAGSHTLQWMYGCDVGPDGRLLRGFWQFGYEGRDYIALNEDLRSWTAADTAAQISKRKWEAADVAERQRNYLEGTCVEWLPRYLENGKDTLLRADPPKAHVTHHPISGREVTLRCWALGFYPEEISLTWQRNGEDQTQDMELVETRPSGDGTFQKWVALVVPSGEEQRYTCSVQHEGLQEPLTLRWEP input pdb |
| Peptide sequence | IAVTHTGKL |
| 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) | 51.9862 | 3.34704 | 25.2296 | 174 |
| cluster_2.pdb ( medoid) | 47.0013 | 2.48929 | 26.8027 | 117 |
| cluster_3.pdb ( medoid) | 30.9539 | 4.49055 | 29.4833 | 139 |
| cluster_4.pdb ( medoid) | 21.8418 | 5.12778 | 41.811 | 112 |
| cluster_5.pdb ( medoid) | 15.2568 | 7.14436 | 41.265 | 109 |
| cluster_6.pdb ( medoid) | 12.8732 | 5.6707 | 12.5812 | 73 |
| cluster_7.pdb ( medoid) | 8.37914 | 9.07014 | 44.8298 | 76 |
| cluster_8.pdb ( medoid) | 8.04747 | 8.94691 | 38.4361 | 72 |
| cluster_9.pdb ( medoid) | 4.1531 | 11.7984 | 35.7533 | 49 |
| cluster_10.pdb ( medoid) | 3.73197 | 21.1685 | 54.5739 | 79 |