| Protein sequence(s) | GTFLAYAQFNDTEVPLIEYSFYSDESLQYPKTVRVPYPKAGAVNPTVKFFVVNTDSLSSVTNATSIQITAPASMLIGDHYLCDVTWATQERISLQWLRRIQNYSVMDICDYDESSGRWNCLVARQHIEMSTTGWVGRFRPS input pdb |
| Peptide sequence | SHTNSQYQSS |
| Simulation mc cycles | 100 |
| Peptide secondary structure psipred | CCCCCCCCCC |
| 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) | 37.3337 | 3.64282 | 14.0087 | 136 |
| cluster_2.pdb ( medoid) | 37.1371 | 4.57764 | 13.9042 | 170 |
| cluster_3.pdb ( medoid) | 23.1397 | 6.09344 | 19.7076 | 141 |
| cluster_4.pdb ( medoid) | 16.6747 | 5.87718 | 16.7079 | 98 |
| cluster_5.pdb ( medoid) | 15.7719 | 7.73527 | 20.3371 | 122 |
| cluster_6.pdb ( medoid) | 12.7439 | 6.90526 | 26.7964 | 88 |
| cluster_7.pdb ( medoid) | 10.1327 | 8.98083 | 32.2697 | 91 |
| cluster_8.pdb ( medoid) | 10.0384 | 6.2759 | 13.3691 | 63 |
| cluster_9.pdb ( medoid) | 3.1365 | 14.666 | 37.048 | 46 |
| cluster_10.pdb ( medoid) | 3.08793 | 14.5729 | 29.0007 | 45 |