| Protein sequence(s) | DEVWVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQEAINCYANETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQKIDKSEGRFHVQNLSQVEQDGRTGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCL input pdb |
| Peptide sequence | SSMKLSFRARAYGFRGPGPQL |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCEEEEHHHCCCCCCCCCC |
| 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) | 26.6765 | 4.76075 | 23.5542 | 127 |
| cluster_2.pdb ( medoid) | 23.1101 | 5.58198 | 23.9208 | 129 |
| cluster_3.pdb ( medoid) | 18.1844 | 9.12873 | 24.221 | 166 |
| cluster_4.pdb ( medoid) | 13.7901 | 9.06449 | 33.4772 | 125 |
| cluster_5.pdb ( medoid) | 13.3132 | 5.40816 | 24.2372 | 72 |
| cluster_6.pdb ( medoid) | 11.3078 | 9.46252 | 28.0247 | 107 |
| cluster_7.pdb ( medoid) | 7.36328 | 5.56817 | 13.0143 | 41 |
| cluster_8.pdb ( medoid) | 5.33223 | 17.066 | 45.042 | 91 |
| cluster_9.pdb ( medoid) | 4.42174 | 10.6293 | 26.0338 | 47 |
| cluster_10.pdb ( medoid) | 2.02198 | 24.2336 | 57.2276 | 49 |