Project name: 1YEJ unbound default 2 run HL AEFRHDS ss: CCCCCCC

Status: done

submitted: 2015-02-25 18:46:56, status changed: 2015-03-13 11:12:22

Project settings
Protein sequence(s) EMQLQQSGAELLRPGTSVKLSCKTSGYIFTSYWIHWVKQRSGQGLEWIARIYPGTGSTYYNEKFKGKATLTADKSSSTAYMQLSTLKSEDSAVYFCTRWGFIPVREDYVMDYWGQGTLVTVSSAKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPDIVMTQSPLTLSVTIGQPASISCKSSQSLLYSNGKTYLNWLLQRPGQSPKRLIHLVSKLDSGVPDRITGSGSGTDFTLKISRVEAADLGVYYCVQGTHFPYTFGGGTKLEILRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC input pdb
Peptide sequence AEFRHDS
Simulation mc cycles50
Peptide secondary structure CCCCCCC
Flexible regions
Unlikely to bind regions
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Zoom/rotate predicted model of the complex using mouse. Click the "View" button on the right panel to load the appropriate model. View in JSmol (pure html5/js) if you got rendering problems.
Models are ranked and numbered according to their occurrence in docking trajectory (1 = most probable result).
Representative conformations
model_1 Download
model_2 Download
model_3 Download
model_4 Download
model_5 Download
model_6 Download
model_7 Download
model_8 Download
model_9 Download
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Click the "View" button to load the contact map of appropriate model.
Representative conformations
model_1 View
model_2 View
model_3 View
model_4 View
model_5 View
model_6 View
model_7 View
model_8 View
model_9 View
model_10 View

Receptor residuePeptide residue
Receptor residuePeptide residue
Receptor residuePeptide residue
Select trajectory from the right panel to display animation in JSmol. Note that it may hangs browser window for few minutes or ever.
Trajectories
replica_1 Download
replica_2 Download
replica_3 Download
replica_4 Download
replica_5 Download
replica_6 Download
replica_7 Download
replica_8 Download
replica_9 Download
replica_10 Download
Selected model: model_1.pdb (most representative model of the best cluster) download the model
Details about clusters
cluster namecluster density average rmsdmax rmsdnumber of elements
cluster_1.pdb ( medoid) 25.5211 3.9575 22.369 101
cluster_2.pdb ( medoid) 16.9892 8.94687 25.7497 152
cluster_3.pdb ( medoid) 15.4474 11.1993 47.0035 173
cluster_4.pdb ( medoid) 14.2054 11.3337 29.7041 161
cluster_5.pdb ( medoid) 14.1072 11.9797 44.8344 169
cluster_6.pdb ( medoid) 8.67083 9.57233 25.6018 83
cluster_7.pdb ( medoid) 5.39023 10.5747 32.9527 57
cluster_8.pdb ( medoid) 4.25056 10.5868 31.4954 45
cluster_9.pdb ( medoid) 3.16967 14.8281 41.2538 47
cluster_10.pdb ( medoid) 2.07183 5.79199 10.683 12
Laboratory of Theory of Biopolymers 2015