Project name: 1iak bound default 3 runAB STDYGILQINSRW ss: CECCCCCCCCCCC

Status: done

submitted: 2015-02-23 11:19:00, status changed: 2015-03-13 10:58:45

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
model_2 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
model_5 View
model_6 View
model_7 View
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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
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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) 48.4563 2.60028 13.5074 126
cluster_2.pdb ( medoid) 38.6163 3.49593 12.9581 135
cluster_3.pdb ( medoid) 38.5494 4.9028 9.65224 189
cluster_4.pdb ( medoid) 24.106 4.14835 9.46916 100
cluster_5.pdb ( medoid) 15.9377 8.09403 31.934 129
cluster_6.pdb ( medoid) 13.2234 8.54546 24.6765 113
cluster_7.pdb ( medoid) 12.3117 5.1171 11.23 63
cluster_8.pdb ( medoid) 9.53421 7.44687 20.3349 71
cluster_9.pdb ( medoid) 7.9766 7.1459 15.8879 57
cluster_10.pdb ( medoid) 3.72286 4.56638 7.1082 17
Laboratory of Theory of Biopolymers 2015