Project name: 1ihj bound default 2 runA TEFCA ss: CCCEC

Status: done

submitted: 2015-02-23 11:18:26, status changed: 2015-03-13 11:27:38

Project settings
Protein sequence(s) GELIHMVTLDKTGKKSFGICIVRGEVKDSPNTKTTGIFIKGIVPDSPAHLCGRLKVGDRILSLNGKDVRNSTEQAVIDLIKEADFKIELEIQTF input pdb
Peptide sequence TEFCA
Simulation mc cycles50
Peptide secondary structure CCCEC
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
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model_4 Download
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model_6 Download
model_7 Download
model_8 Download
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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) 40.4253 3.04265 22.6067 123
cluster_2.pdb ( medoid) 31.5406 3.55098 28.0217 112
cluster_3.pdb ( medoid) 29.4193 4.21492 20.9662 124
cluster_4.pdb ( medoid) 20.8805 5.31595 22.2868 111
cluster_5.pdb ( medoid) 19.1418 6.16451 19.7101 118
cluster_6.pdb ( medoid) 15.3959 6.17049 23.8456 95
cluster_7.pdb ( medoid) 11.8243 8.20343 22.354 97
cluster_8.pdb ( medoid) 10.469 8.0237 33.1349 84
cluster_9.pdb ( medoid) 8.64065 9.95296 26.8842 86
cluster_10.pdb ( medoid) 5.69427 8.78076 20.4247 50
Laboratory of Theory of Biopolymers 2015