| Protein sequence(s) | SHMMPPCPQDWIWHGENCYLFSSSGSFNWEKSQEKCLSLDAKLLKINSTADLDFIQQAISSYSSSFPFWMMGLSRRNPSYPWLWEDGSPLMMPHLFRRVRRGAVSQTYPSGTCAYIQRRGAVYAENCILAAFSICQQKKANNLLRAQSHMPCPQDWIWHGEENCYLLFSSSGSFNWEKSQEKKCLSSLDAKLLKINNSTADLDFIQQAISYSSFPFWMMGLSRRRNPSYPWLWEDGSPLMMPHLFRVRGAVVSSQQTYPSGTCAYIQRGAVYAENCILAAFSICQQKKKANLRAQ input pdb |
| Peptide sequence | KVLNGPEEEAAAPAE |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCCHHHHHCCCCC |
| 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) | 21.1237 | 6.15423 | 13.371 | 130 |
| cluster_2.pdb ( medoid) | 16.5305 | 8.3482 | 23.2719 | 138 |
| cluster_3.pdb ( medoid) | 15.9215 | 12.436 | 42.0202 | 198 |
| cluster_4.pdb ( medoid) | 11.6744 | 7.70918 | 23.2833 | 90 |
| cluster_5.pdb ( medoid) | 11.1031 | 9.36677 | 25.0655 | 104 |
| cluster_6.pdb ( medoid) | 10.4687 | 12.8956 | 34.3232 | 135 |
| cluster_7.pdb ( medoid) | 7.51461 | 10.9121 | 30.5408 | 82 |
| cluster_8.pdb ( medoid) | 6.17196 | 6.64295 | 20.6861 | 41 |
| cluster_9.pdb ( medoid) | 4.89199 | 7.7678 | 23.3396 | 38 |
| cluster_10.pdb ( medoid) | 3.65768 | 12.0295 | 20.9472 | 44 |