Project name: 2jam bound default 3 runA GVSKFA ss: CCEECC

Status: done

submitted: 2015-02-23 11:19:16, status changed: 2015-03-13 11:06:37

Project settings
Protein sequence(s) NIRKTFIFMEVLGSGAFSEVFLVKQRLTGKLFALKCIKKSSLENEIAVLKKIKHENIVTLEDIYESTTHYYLVMQLVSGGELFDRILERGVYTEKDASLVIQQVLSAVKYLHENGIVHRDLKPENLLYLTPEENSKIMITDFGLSKMEQNGIMSTACGTPGYVAPEVLAQKPYSKAVDCWSIGVITYILLCGYPPFYEETESKLFEKIKEGYYEFESPFWDDISESAKDFICHLLEKDPNERYTCEKALSHPWIDGNTALHRDIYPSVSLQIQKNFAKS input pdb
Peptide sequence GVSKFA
Simulation mc cycles50
Peptide secondary structure CCEECC
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
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model_4 Download
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model_6 Download
model_7 Download
model_8 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) 58.8492 1.81821 6.72876 107
cluster_2.pdb ( medoid) 41.6132 3.67672 21.0425 153
cluster_3.pdb ( medoid) 41.4843 2.45876 21.3815 102
cluster_4.pdb ( medoid) 37.7842 5.6902 26.9362 215
cluster_5.pdb ( medoid) 32.0641 3.61776 32.4369 116
cluster_6.pdb ( medoid) 17.2861 6.07425 12.5291 105
cluster_7.pdb ( medoid) 15.0546 5.18113 20.296 78
cluster_8.pdb ( medoid) 12.4131 7.57264 17.6297 94
cluster_9.pdb ( medoid) 2.44305 6.95851 13.3904 17
cluster_10.pdb ( medoid) 1.1151 11.6581 24.3656 13
Laboratory of Theory of Biopolymers 2015