| Protein sequence(s) | GEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLMDEEDMDDVVDADEYLIP input pdb |
| Peptide sequence | IFGGFMLGVKSISGMAFSFY |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCEEEECEEEECEECEEC |
| 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) | 53.8753 | 0.872385 | 3.45917 | 47 |
| cluster_2.pdb ( medoid) | 22.6339 | 2.42998 | 22.9038 | 55 |
| cluster_3.pdb ( medoid) | 20.2479 | 5.92653 | 22.0058 | 120 |
| cluster_4.pdb ( medoid) | 18.0338 | 6.43238 | 44.1573 | 116 |
| cluster_5.pdb ( medoid) | 17.026 | 10.9244 | 30.9038 | 186 |
| cluster_6.pdb ( medoid) | 12.6692 | 9.39284 | 22.8589 | 119 |
| cluster_7.pdb ( medoid) | 10.8548 | 12.7133 | 25.8812 | 138 |
| cluster_8.pdb ( medoid) | 6.28207 | 15.7591 | 30.6476 | 99 |
| cluster_9.pdb ( medoid) | 4.58925 | 12.8561 | 30.2088 | 59 |
| cluster_10.pdb ( medoid) | 2.74253 | 22.2422 | 44.0888 | 61 |