Project name: 1JWF unbound default 2 run A DLLHI ss: CCCCC

Status: done

submitted: 2015-02-25 18:46:47, status changed: 2015-03-13 10:54:28

Project settings
Protein sequence(s) PETLEARINRATNPLNKELDWASINGFCEQLNEDFEGPPLATRLLAHKIQSPQEWEAIQALTVLETCMKSCGKRFHDEVGKFRFLNELIKVVSPKYLGSRTSEKVKNKILELLYSWTVGLPEEVKIAEAYQMLKKQGIV input pdb
Peptide sequence DLLHI
Simulation mc cycles50
Peptide secondary structure CCCCC
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) 50.5578 3.12514 9.30654 158
cluster_2.pdb ( medoid) 34.633 3.95577 10.4343 137
cluster_3.pdb ( medoid) 31.8107 5.02976 15.2722 160
cluster_4.pdb ( medoid) 24.7376 4.93176 19.7911 122
cluster_5.pdb ( medoid) 17.6288 3.46025 9.13703 61
cluster_6.pdb ( medoid) 15.7449 6.41477 30.0394 101
cluster_7.pdb ( medoid) 15.3446 5.99561 36.5126 92
cluster_8.pdb ( medoid) 10.8074 4.53393 13.2131 49
cluster_9.pdb ( medoid) 8.81539 8.0541 24.3472 71
cluster_10.pdb ( medoid) 5.17382 9.47076 28.2019 49
Laboratory of Theory of Biopolymers 2015