Protein sequence(s) | MHTLLFLLLLAGTQSATARTHSLQYFHTGSSQVPNFPEFVSVGYVDEVQINHYDSNTMKVEPKQDWMLKTTDSQYWEKNTKYFLSERQIFKVNIEIAKERFNQTEGVHIIQRMYGCEWDDETGEVKGYDQHGYDGEDFISLDLETETWIAPTPQAVITKLKWDNNKALLANQKNYYTQVCPDWLKKYLEHGKSSLLRTELPSMSLLQKSPSSPVSCHATGFYPDSAMLFWRKDGEEHHEDVYVGEVLPNHDGTFQMSADLQVSSIPPEDWRRYDCVFQLSGVKEDIVKRLDKDSVESNREKPTDVTTIIIVAAVVVLALVLAVTGFIVYRKRNAKCPPSPGKDPNVLKPLNPDGQVSNSPSETSSMKNTMKNKVDTCPVFLFVSVLGLLSMFPVLSAERHSLTYIYTAFSKPVQSPGLHEFTAMGMVDQKMIDYFDSDLNLKVPKEPWMEQNMGKDYWKMGTESRQSKQKWFNVNIDILMKRLRQNDTDTHVLQWLHGCETSRSTASMKFYRGVDTYSYDGNDFLHFDDGHGVWVSSGAAADDTKRKWDGVQTLKDYTKGYLENECLKWLEKFVTYRQKQLQAAPSPSMFMFAKKSHTETSVILTCLATGFLQRQVELEMRRDGRLLTAQDGVRTSNVRPNDADSYQIRNSVEILKTDKSLFTCEVLHRESSLSVATTWDRKLPNAASGLTYVGVGVGLVVLVVLGVQPL input pdb | |
Peptide sequence | ALNQAKEEF | |
Simulation mc cycles | 50 | |
Peptide secondary structure psipred | CHHHHHHCC | |
Flexible regions |
|
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) | 29.9775 | 3.66942 | 23.977 | 110 |
cluster_2.pdb ( medoid) | 19.6181 | 5.3522 | 17.1658 | 105 |
cluster_3.pdb ( medoid) | 18.1923 | 6.4313 | 46.841 | 117 |
cluster_4.pdb ( medoid) | 16.3558 | 6.35859 | 33.1607 | 104 |
cluster_5.pdb ( medoid) | 14.7661 | 11.1742 | 53.4382 | 165 |
cluster_6.pdb ( medoid) | 11.6682 | 8.48463 | 15.0606 | 99 |
cluster_7.pdb ( medoid) | 10.8027 | 9.34952 | 24.8541 | 101 |
cluster_8.pdb ( medoid) | 9.93031 | 6.14281 | 12.8178 | 61 |
cluster_9.pdb ( medoid) | 8.92754 | 7.95291 | 23.2609 | 71 |
cluster_10.pdb ( medoid) | 7.58723 | 8.83062 | 35.3328 | 67 |