Protein sequence(s) | MHTLLFLLLLAGTQSATARTHSLQYFYTGSSQVPNFPEFVAVGYVDEVQMIHYDSNTMKAESKQDWMLKAVDSHYWESETQKFLGTQQTYKVNIETLKERFNQTEGVHIIQRMYGCEWDDETGEVKGYDQHGYDGEDFISLDLETETWIAPTPQAVITKLKWDNNKALLANQKNYYTQVCPDWLKKYLEHGKSSLLRTELPSMSLLQKSPSSPVSCHATGFYPDSAMLFWRKDGEEHHEDVYVGEVLPNHDGTFQMSADLQVSSIPPEDWRRYDCVFQLSGVKEDIVKRLDKDSVESNREKPTDVTTIIIVAAVVVLALVLAVTGFIVYRKRNAKCPPSPGKDPNVLKPLNPDGQVSNSPSETSSMKNTMKNKVDTCPVFLFVSVLGLLSMFPVLSAERHSLTYIYTAFSKPVQSPGLHEFTAMGMVDQKMIDYFDSDLNLKVPKEPWMEQNMGKDYWKMGTESRQSKQKWFNVNIDILMKRLRQNDTDTHVLQWLHGCETSRSTASMKFYRGVDTYSYDGNDFLHFDDGHGVWVSSGAAADDTKRKWDGVQTLKDYTKGYLENECLKWLEKFVTYRQKQLQAAPSPSMFMFAKKSHTETSVILTCLATGFLQRQVELEMRRDGRLLTAQDGVRTSNVRPNDADSYQIRNSVEILKTDKSLFTCEVLHRESSLSVATTWDRKLPNAASGLTYVGVGVGLVVLVVLGVQPL input pdb | |
Peptide sequence | SLLEGTHYI | |
Simulation mc cycles | 50 | |
Peptide secondary structure psipred | CCCCCCCCC | |
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) | 145.671 | 0.686481 | 3.93629 | 100 |
cluster_2.pdb ( medoid) | 32.3619 | 4.78959 | 17.4334 | 155 |
cluster_3.pdb ( medoid) | 25.2966 | 6.99698 | 17.4674 | 177 |
cluster_4.pdb ( medoid) | 20.2065 | 7.81926 | 19.8388 | 158 |
cluster_5.pdb ( medoid) | 13.445 | 8.92524 | 18.1915 | 120 |
cluster_6.pdb ( medoid) | 11.9826 | 5.67489 | 35.1928 | 68 |
cluster_7.pdb ( medoid) | 10.3443 | 6.57366 | 16.7822 | 68 |
cluster_8.pdb ( medoid) | 7.09577 | 8.17389 | 28.9342 | 58 |
cluster_9.pdb ( medoid) | 6.48117 | 8.33183 | 15.4241 | 54 |
cluster_10.pdb ( medoid) | 5.94551 | 7.06415 | 26.5751 | 42 |