Protein sequence(s) | MHTLLFLLLLAGTQSATARTHSLQYFHTGSSQVPNFPEFVSVGYVDEVQINHYDSNTMKVEPKQDWMLKTTDSQYWEKNTKYFLSERQIFKVNIEIAKERFNQTEGVHIIQRMYGCEWDDETGEVKGYDQHGYDGEDFISLDLETETWIAPTPQAVITKLKWDNNKALLANQKNYYTQVCPDWLKKYLEHGKSSLLRTELPSMSLLQKSPSSPVSCHATGFYPDSAMLFWRKDGEEHHEDVYVGEVLPNHDGTFQMSADLQVSSIPPEDWRRYDCVFQLSGVKEDIVKRLDKDSVESNREKPTDVTTIIIVAAVVVLALVLAVTGFIVYRKRNAKCPPSPGKDPNVLKPLNPDGQVSNSPSETSSMKNTMKNKVDTCPVFLFVSVLGLLSMFPVLSAERHSLTYIYTAFSKPVQSPGLHEFTAMGMVDQKMIDYFDSDLNLKVPKEPWMEQNMGKDYWKMGTESRQSKQKWFNVNIDILMKRLRQNDTDTHVLQWLHGCETSRSTASMKFYRGVDTYSYDGNDFLHFDDGHGVWVSSGAAADDTKRKWDGVQTLKDYTKGYLENECLKWLEKFVTYRQKQLQAAPSPSMFMFAKKSHTETSVILTCLATGFLQRQVELEMRRDGRLLTAQDGVRTSNVRPNDADSYQIRNSVEILKTDKSLFTCEVLHRESSLSVATTWDRKLPNAASGLTYVGVGVGLVVLVVLGVQPL input pdb | |
Peptide sequence | TPSQISTLI | |
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) | 110.705 | 0.903299 | 3.88052 | 100 |
cluster_2.pdb ( medoid) | 30.7682 | 3.25011 | 6.67285 | 100 |
cluster_3.pdb ( medoid) | 29.6634 | 3.30374 | 7.21509 | 98 |
cluster_4.pdb ( medoid) | 26.4336 | 5.03147 | 14.5247 | 133 |
cluster_5.pdb ( medoid) | 23.4821 | 5.11027 | 16.695 | 120 |
cluster_6.pdb ( medoid) | 21.6589 | 9.23408 | 20.1223 | 200 |
cluster_7.pdb ( medoid) | 15.6916 | 4.01488 | 7.58621 | 63 |
cluster_8.pdb ( medoid) | 13.3811 | 6.35223 | 19.8759 | 85 |
cluster_9.pdb ( medoid) | 10.9258 | 3.3865 | 5.60147 | 37 |
cluster_10.pdb ( medoid) | 6.09839 | 10.4946 | 24.4505 | 64 |