Project name: 2jam bound default A GVSKFA ss: CCEECC

Status: done

submitted: 2015-02-19 18:28:29, status changed: 2015-03-13 10:55:41

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
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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
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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) 60.1442 2.94292 32.774 177
cluster_2.pdb ( medoid) 22.4505 6.99316 28.349 157
cluster_3.pdb ( medoid) 16.5341 8.70925 31.9312 144
cluster_4.pdb ( medoid) 12.6521 5.29555 16.7029 67
cluster_5.pdb ( medoid) 10.2507 10.2432 39.1597 105
cluster_6.pdb ( medoid) 9.69745 5.36224 13.259 52
cluster_7.pdb ( medoid) 7.47949 9.76003 29.2549 73
cluster_8.pdb ( medoid) 7.19765 10.0033 37.7957 72
cluster_9.pdb ( medoid) 7.19311 14.4583 39.1517 104
cluster_10.pdb ( medoid) 2.75581 17.7806 47.0803 49
Laboratory of Theory of Biopolymers 2015