| Protein sequence(s) | MIVFIFLAMGLSLENEYTSQTNNCTYLREQCLRDANGCKHAWRVMEDACNDSDPGDPCKMRNSSYCNLSIQYLVESNFQFKECLCTDDFYCTVNKLLGKKCINKSDNVKEDKFKWNLTTRSHHGFKGMWSCLEVAEACVGDVVCNAQLASYLKACSANGNPCDLKQCQAAIRFFYQNIPFNIAQMLAFCDCAQSDIPCQQSKEALHSKTCAVNMVPPPTCLSVIRSCQNDELCRRHYRTFQSKCWQRVTRKCHEDENCISTLSKQDLTCSGSDDCKAAYIDILGTVLQVQCTCRTITQSEESLCKIFQHMLHRKSCFNYPTLSNVKGMALYTRKHANKITLTGFHSPFNGEVIYAAMCMTVTCGILLLVMVKLRTSRISSKARDPSSIQIPGEL input pdb |
| Peptide sequence | MSAEEIARSQANIDALLAKAAAALP |
| Simulation mc cycles | 50 |
| Peptide secondary structure psipred | CCHHHHHHHHHHHHHHHHHHHHHCC |
| 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) | 87.6491 | 1.14091 | 2.23629 | 100 |
| cluster_2.pdb ( medoid) | 81.7186 | 1.22371 | 14.7779 | 100 |
| cluster_3.pdb ( medoid) | 75.8781 | 0.882995 | 2.65297 | 67 |
| cluster_4.pdb ( medoid) | 35.1955 | 1.81841 | 6.31585 | 64 |
| cluster_5.pdb ( medoid) | 24.3892 | 3.23914 | 6.80525 | 79 |
| cluster_6.pdb ( medoid) | 21.7499 | 4.59772 | 9.26375 | 100 |
| cluster_7.pdb ( medoid) | 12.3489 | 2.6723 | 5.00446 | 33 |
| cluster_8.pdb ( medoid) | 7.02623 | 3.13112 | 7.46536 | 22 |
| cluster_9.pdb ( medoid) | 3.78562 | 5.5473 | 11.7356 | 21 |
| cluster_10.pdb ( medoid) | 2.51277 | 5.57154 | 7.50726 | 14 |