| Protein sequence(s) | GSSHSSMMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRRFDSDAASQRMEEPRAPWIEQEGPPEYWDGETRRKVKAHSQTHRVDLGTLLRGYYNQSEAGSHTVQRMYGCDVVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQTTKHHHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKKETLQRTTDAPKKTHMMTHHAVSDHEATLRCWALSFYPPAEITLTWQRDGEDDQTQDTELVETRPAGDGTFQKWAAVVVPSSSGQEQRYTCHVQHEGLPKPLTLRWEP input pdb |
| Peptide sequence | KWTLQDVSLEVYLTAP |
| Simulation mc cycles | 200 |
| Peptide secondary structure psipred | CCCCEEEEEEEEEECC |
| 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) | 38.3251 | 4.17481 | 13.013 | 160 |
| cluster_2.pdb ( medoid) | 29.1249 | 5.3219 | 39.1385 | 155 |
| cluster_3.pdb ( medoid) | 28.5407 | 4.02934 | 39.8941 | 115 |
| cluster_4.pdb ( medoid) | 26.9228 | 2.48859 | 4.13707 | 67 |
| cluster_5.pdb ( medoid) | 21.0963 | 3.69734 | 11.3927 | 78 |
| cluster_6.pdb ( medoid) | 14.9134 | 8.85109 | 26.2325 | 132 |
| cluster_7.pdb ( medoid) | 13.5284 | 3.76986 | 35.9351 | 51 |
| cluster_8.pdb ( medoid) | 6.46632 | 15.9287 | 44.2923 | 103 |
| cluster_9.pdb ( medoid) | 5.66329 | 15.1855 | 49.3734 | 86 |
| cluster_10.pdb ( medoid) | 1.29329 | 23.1967 | 48.9886 | 30 |