Project name: 1iak bound default 2 runAB STDYGILQINSRW ss: CECCCCCCCCCCC

Status: done

submitted: 2015-02-23 11:18:26, status changed: 2015-03-13 10:53:31

Project settings
Protein sequence(s) IEADHVGSYGITVYQSPGDIGQYTFEFDGDELFYVDLDKKETVWMLPEFAQLRRFEPQGGLQNIATGKHNLEILTKRSNSTPATNEAPQATVFPKSPVLLGQPNTLICFVDNIFPPVINITWLRNSKSVTDGVYETSFFVNRDYSFHKLSYLTFIPSDDDIYDCKVEHWGLEEPVLKHWEPEGSFVHQFQPFCYFTNGTQRIRLVIRYIYNREEYVRFDSDVGEYRAVTELGRPDAEYWNKQYLERTRAELDTVCRHNYEKTETPTSLRRLEQPSVVISLSRTEALNHHNTLVCSVTDFYPAKIKVRWFRNGQEETVGVSSTQLIRNGDWTFQVLVMLEMTPRRGEVYTCHVEHPSLTSPITVEWRA input pdb
Peptide sequence STDYGILQINSRW
Simulation mc cycles50
Peptide secondary structure CECCCCCCCCCCC
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_7 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
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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) 57.895 5.1818 18.2425 300
cluster_2.pdb ( medoid) 39.2034 2.67834 17.3425 105
cluster_3.pdb ( medoid) 37.3713 1.49847 8.37076 56
cluster_4.pdb ( medoid) 34.0115 2.91078 19.6839 99
cluster_5.pdb ( medoid) 19.0963 2.98488 14.4935 57
cluster_6.pdb ( medoid) 11.1137 7.37828 20.0506 82
cluster_7.pdb ( medoid) 10.9413 12.887 29.8713 141
cluster_8.pdb ( medoid) 9.44077 9.53312 35.0365 90
cluster_9.pdb ( medoid) 5.202 9.41945 31.5476 49
cluster_10.pdb ( medoid) 2.69682 7.78695 20.9277 21
Laboratory of Theory of Biopolymers 2015