| Protein sequence(s) | GSSHSSMMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRRFDSDAASQRMEEPRAPWIEQEGPPEYWDGETRRKVKAHSQTHRVDLGTLLRGYYNQSEAGSHTVQRMYGCDVVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQTTKHHHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKKETLQRTTDAPKKTHMMTHHAVSDHEATLRCWALSFYPPAEITLTWQRDGEDDQTQDTELVETRPAGDGTFQKWAAVVVPSSSGQEQRYTCHVQHEGLPKPLTLRWEP input pdb |
| Peptide sequence | HRDSVDSAPILTAFNSSHKGRI |
| Simulation mc cycles | 200 |
| Peptide secondary structure psipred | CCCCCCCCCCHHHCCCCCCCCC |
| 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) | 39.2974 | 4.58046 | 14.2332 | 180 |
| cluster_2.pdb ( medoid) | 25.0947 | 4.50294 | 10.3426 | 113 |
| cluster_3.pdb ( medoid) | 22.8001 | 5.26314 | 24.637 | 120 |
| cluster_4.pdb ( medoid) | 22.5519 | 5.09934 | 17.1629 | 115 |
| cluster_5.pdb ( medoid) | 21.6929 | 5.53177 | 15.5552 | 120 |
| cluster_6.pdb ( medoid) | 10.7129 | 10.6413 | 20.9885 | 114 |
| cluster_7.pdb ( medoid) | 7.87489 | 12.1907 | 25.643 | 96 |
| cluster_8.pdb ( medoid) | 7.2774 | 8.51953 | 17.735 | 62 |
| cluster_9.pdb ( medoid) | 6.81311 | 6.16459 | 20.5371 | 42 |
| cluster_10.pdb ( medoid) | 6.78229 | 5.60283 | 13.4307 | 38 |