| Protein sequence(s) | GEADMDFLRNLFRLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRSPSTGLYDNLEKYHLPYPEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYFMRLLKDKGLLLRCYTQNIDTLERIAGLEQEDLVEAHGTFYTSHCVSASCRHEYPLSWMKEKIFSEVTPKCEDCQSLVKPDIVFFGESLPARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMIMGLGGGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQSQKERLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRSPSTGLYDNLEKYHLPYPEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYFMRLLKDKGLLLRCYTQNIDTLERIAGLEQEDLVEAHGTFYTSHCVSASCRHEYPLSWMKEKIFSEVTPKCEDCQSLVKPDIVFFGESLPARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMIMGLGGGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQSGEADMDFLRNLFRLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRSPSTGLYDNLEKYHLPYPEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYFMRLLKDKGLLLRCYTQNIDTLERIAGLEQEDLVEAHGTFYTSHCVSASCRHEYPLSWMKEKIFSEVTPKCEDCQSLVKPDIVFFGESLPARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMIMGLGGGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQS input pdb |
| Peptide sequence | YMGEWVKRRTNYYC |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCCHHHHHHCCCCC |
| 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) | 75.9884 | 1.31599 | 3.61931 | 100 |
| cluster_2.pdb ( medoid) | 31.1865 | 3.20652 | 7.59265 | 100 |
| cluster_3.pdb ( medoid) | 29.6763 | 3.36969 | 11.8406 | 100 |
| cluster_4.pdb ( medoid) | 23.8663 | 9.09231 | 19.2351 | 217 |
| cluster_5.pdb ( medoid) | 18.4745 | 11.2046 | 20.5606 | 207 |
| cluster_6.pdb ( medoid) | 13.8507 | 7.21984 | 15.6725 | 100 |
| cluster_7.pdb ( medoid) | 12.4387 | 8.03945 | 19.0951 | 100 |
| cluster_8.pdb ( medoid) | 3.4201 | 8.77167 | 19.1222 | 30 |
| cluster_9.pdb ( medoid) | 3.30641 | 7.86351 | 21.4173 | 26 |
| cluster_10.pdb ( medoid) | 1.86506 | 10.7235 | 23.3006 | 20 |