| Protein sequence(s) | ETGDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNGLIVRDGGRVLVVDTAWTDDQTAQILNWIKQEINLPVALAVVTHAHQQDKMGGMDALHAAGIATYANALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNFGPLKVFYPGPGHTSDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTEHYAASARAFGAAFPKASMIVMSHSAPDSRAAITHTARMADKLR input pdb |
| Peptide sequence | LQGKRQWDLV |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCCCCCCC |
| 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) | 38.2086 | 6.80474 | 20.0021 | 260 |
| cluster_2.pdb ( medoid) | 23.8676 | 5.86569 | 16.3689 | 140 |
| cluster_3.pdb ( medoid) | 22.5495 | 6.43029 | 29.1819 | 145 |
| cluster_4.pdb ( medoid) | 20.2417 | 5.43433 | 16.644 | 110 |
| cluster_5.pdb ( medoid) | 18.0815 | 6.58132 | 21.8321 | 119 |
| cluster_6.pdb ( medoid) | 10.4983 | 4.28639 | 19.9454 | 45 |
| cluster_7.pdb ( medoid) | 10.1405 | 4.33905 | 8.31115 | 44 |
| cluster_8.pdb ( medoid) | 9.85424 | 6.39318 | 14.9304 | 63 |
| cluster_9.pdb ( medoid) | 6.34976 | 4.25213 | 10.3219 | 27 |
| cluster_10.pdb ( medoid) | 3.51235 | 13.3813 | 35.7326 | 47 |