| Protein sequence(s) | GDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNGLIVRDGGRVLVVDTAWTDDQTAQILNWIKQEINLPVALAVVTHAHQDKMGGMDALHAAGIATYANALSNQLAPQEGMVAAQHSLTGWVEPATAPNFGPLKVFYPGPGHTSDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADYAASARAFGAAFPKASMIVMSHSAPDSRAAITHTARMADKLR input pdb |
| Peptide sequence | ISCACGGNG |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCCCCCCC |
| 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) | 53.5513 | 3.67872 | 11.1751 | 197 |
| cluster_2.pdb ( medoid) | 23.4132 | 4.6982 | 12.8329 | 110 |
| cluster_3.pdb ( medoid) | 20.2101 | 5.14594 | 22.6726 | 104 |
| cluster_4.pdb ( medoid) | 20.0628 | 6.23042 | 30.0094 | 125 |
| cluster_5.pdb ( medoid) | 16.3369 | 6.12111 | 30.7684 | 100 |
| cluster_6.pdb ( medoid) | 11.3276 | 7.94517 | 31.9686 | 90 |
| cluster_7.pdb ( medoid) | 7.12887 | 15.9913 | 41.3798 | 114 |
| cluster_8.pdb ( medoid) | 6.00125 | 14.8302 | 44.013 | 89 |
| cluster_9.pdb ( medoid) | 3.38899 | 16.229 | 33.7411 | 55 |
| cluster_10.pdb ( medoid) | 1.34354 | 11.9088 | 28.6125 | 16 |