| Protein sequence(s) | GSSHSSMMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRRFDSDAASQRMEEPRAPWIEQEGPPEYWDGETRRKVKAHSQTHRVDLGTLLRGYYNQSEAGSHTVQRMYGCDVVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQTTKHHHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKKETLQRTTDAPKKTHMMTHHAVSDHEATLRCWALSFYPPAEITLTWQRDGEDDQTQDTELVETRPAGDGTFQKWAAVVVPSSSGQEQRYTCHVQHEGLPKPLTLRWEP input pdb |
| Peptide sequence | CEEASVTVVEGQVDYYGLYYVHEGIR |
| Simulation mc cycles | 200 |
| Peptide secondary structure psipred | CCCCEEEEEEEEEEEEEEEEEECCCC |
| 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) | 39.2618 | 5.65436 | 40.6027 | 222 |
| cluster_2.pdb ( medoid) | 20.2807 | 6.50864 | 30.6033 | 132 |
| cluster_3.pdb ( medoid) | 12.6474 | 4.665 | 27.547 | 59 |
| cluster_4.pdb ( medoid) | 11.3542 | 5.19631 | 28.3891 | 59 |
| cluster_5.pdb ( medoid) | 10.8368 | 10.7042 | 32.1649 | 116 |
| cluster_6.pdb ( medoid) | 9.54895 | 12.4621 | 39.3685 | 119 |
| cluster_7.pdb ( medoid) | 5.58522 | 15.3978 | 36.4109 | 86 |
| cluster_8.pdb ( medoid) | 5.23029 | 12.6188 | 34.4998 | 66 |
| cluster_9.pdb ( medoid) | 2.6828 | 15.2825 | 39.8785 | 41 |
| cluster_10.pdb ( medoid) | 2.30673 | 11.2713 | 23.2831 | 26 |