| Protein sequence(s) | QVCTGTDMKLRLPASPETHLDMLRHLYQGCQVVQGNLELTYLPTNASLSFLQDIQEVQGYVLIAHNQVRQVPLQRLRIVRGTQLFEDNYALAVLDNGGGLRELQLRSLTEILKGGVLIQRNPQLCYQDTILWKDIFHKNNQLALTLIDTNRSRACHPCSPMCKGSRCWGESSEDCQSLTRTVCAGGCARCKGPLPTDCCHEQCAAGCTGPKHSDCLACLHFNHSGICELHCPALVTYNTDTFESMPNPEGRYTFGASCVTACPYNYLSTDVGFCTLVCPLHNQEVTATQRCEKCSKPCARVCYGLGMEHLREVRAVTSANIQEFAGCKKIFGSLAFLPESFDGDPASNTAPLQPEQLQVFETLEEITGYLYISAWPDSLPDLSVFQNLQVIRGRILHNGAYSLTLQGLGISWLGLRSLRELGSGLALIHHNTHLCFVHTVPWDQLFRNPHQALLHTANRPEDECVGEGLACHQLCARGHCWGPGPTQCVNCSQFLRGQECVEECRVLQGLPREYVNARHCLPCHPECQPQNGSVTCFGPEADQCVACAHYKDPPFCVARCPSIWKFPDEEGACQPCPIN input pdb |
| Peptide sequence | LKNAHEHDKAIAANSEMR |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCHHHHHHHHHHCCCCC |
| 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) | 43.8446 | 2.80537 | 11.2656 | 123 |
| cluster_2.pdb ( medoid) | 23.5584 | 3.22602 | 16.597 | 76 |
| cluster_3.pdb ( medoid) | 21.6244 | 8.37016 | 37.1982 | 181 |
| cluster_4.pdb ( medoid) | 20.6035 | 6.4552 | 20.0094 | 133 |
| cluster_5.pdb ( medoid) | 9.81644 | 7.84399 | 35.133 | 77 |
| cluster_6.pdb ( medoid) | 8.47447 | 12.1542 | 39.0712 | 103 |
| cluster_7.pdb ( medoid) | 7.02168 | 9.6843 | 31.069 | 68 |
| cluster_8.pdb ( medoid) | 5.58706 | 4.11666 | 8.46537 | 23 |
| cluster_9.pdb ( medoid) | 5.3286 | 4.12867 | 8.42809 | 22 |
| cluster_10.pdb ( medoid) | 4.16181 | 22.5863 | 47.0895 | 94 |