Project name: 1er8 bound default E UPFHLLVY ss: CCCCCCEC

Status: done

submitted: 2015-02-19 18:28:12, status changed: 2015-03-13 10:50:34

Project settings
Protein sequence(s) STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGATTPTLGFASK input pdb
Peptide sequence UPFHLLVY
Simulation mc cycles50
Peptide secondary structure CCCCCCEC
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
model_10 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) 64.0784 1.0612 5.14246 68
cluster_2.pdb ( medoid) 24.0174 6.32875 32.4335 152
cluster_3.pdb ( medoid) 22.0698 6.25288 43.4548 138
cluster_4.pdb ( medoid) 19.6979 9.49341 41.3442 187
cluster_5.pdb ( medoid) 14.6777 8.58448 42.953 126
cluster_6.pdb ( medoid) 10.9271 10.9819 33.1265 120
cluster_7.pdb ( medoid) 9.75505 6.4582 15.6675 63
cluster_8.pdb ( medoid) 5.42757 8.10676 30.9536 44
cluster_9.pdb ( medoid) 4.48913 10.9152 26.0684 49
cluster_10.pdb ( medoid) 3.30312 16.0455 41.9171 53
Laboratory of Theory of Biopolymers 2015