| Protein sequence(s) | SVTVKRIIDNTVIVPKLPANEDPVEYPADYFRKSKEIPLYINTTKSLSDLRGYVYQGLKSGNVSIIHVNSYLYGALKDIRGKLDKDWSSFGINIGKAGDTIGIFDLVSLKALDGVLPDGVSDASRTSADDKWLPLYLLGLYRVGRTQMPEYRKKLMDGLTNQCKMINEQFEPLVPEGRDIFDVWGNDSNYTKIVAAVDMFFHMFKKHECASFRYGTIVSRFKDCAALATFGHLCKITGMSTEDVTTWILNREVADEMVQMMLPGQEIDKADSYMPYLIDFGLSSKSPYSSVKNPAFHFWGQLTALLLRSTRARNARQPDDIEYTSLTTAGLLYAYAVGSSADLAQQFCVGDNKYTPDDSTGGLTTNAPPQGRDVVEWLGWFEDQNRKPTPDMMQYAKRAVMSLQGLREKTIGKYAKSEFDKQLRYEKFFFTVKMTVRSNRPFRTYSDVAAAVSHWDHMYIGMAGKRPFYKILAFLGSSNLKATPAVLADQGQPEYHAHCEGRAYLPHRMGKTPPMLNVPEHFRRPFNIGLYKGTIELTMTIYDDESLEAAPMIWDHFNSSKFSDFREKALMFGLIVEKKASGAWVLDSISHFKKSYFGVDEMDTYDPNQLRYEKFFFTVKMTVRSNRPFRTYSDVAAAVSHWDHMYIGMAGKRPFYKILAFLGSSNLKATPAVLADQGQPEYHAHCEGRAYLPHRMGKTPPMLNVPEHFRRPFNIGLYKGTIELTMTIYDDESLEAAPMIWDHFNSSKFSDFREKALMFGLIVEKKASGAWVLDSISH input pdb |
| Peptide sequence | RETLVRKVVLQKRVKSRYSWSK |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCHHHHHHHHHHHHHCCCCCC |
| 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) | 19.2315 | 7.01974 | 25.3629 | 135 |
| cluster_2.pdb ( medoid) | 11.6229 | 13.5078 | 53.0052 | 157 |
| cluster_3.pdb ( medoid) | 11.3632 | 7.21625 | 30.4619 | 82 |
| cluster_4.pdb ( medoid) | 9.73094 | 12.5373 | 39.7194 | 122 |
| cluster_5.pdb ( medoid) | 7.19962 | 8.88936 | 37.2524 | 64 |
| cluster_6.pdb ( medoid) | 6.58656 | 10.1722 | 27.1889 | 67 |
| cluster_7.pdb ( medoid) | 6.15435 | 12.9989 | 39.3961 | 80 |
| cluster_8.pdb ( medoid) | 4.96015 | 14.3141 | 32.7763 | 71 |
| cluster_9.pdb ( medoid) | 2.29712 | 23.5077 | 48.663 | 54 |
| cluster_10.pdb ( medoid) | 2.29092 | 29.6824 | 55.961 | 68 |