Project name: H18E5OK5IAg7 1es0

Status: done

submitted: 2018-01-01 10:16:47, status changed: 2018-01-03 06:52:40

Project settings
Protein sequence(s) DIEADHVGFYGTTVYQSPGDIGQYTHEFDGDELFYVDLDKKKTVWRLPEFGQLILFEPQGGLQNIAAEKHNLGILTKRSNFTPATNEAPQATVFPKSPVLLGQPNTLICFVDNIFPPVINITWLRNSKSVTDGVYETSFLVNRDHSFHKLSYLTFIPSDDDIYDCKVEHWGLEEPVLKHWSSRHFVHQFKGECYFTNGTQRIRLVTRYIYNREEYLRFDSDVGEYRAVTELGRHSAEYYNKQYLERTRAELDTACRHNYEETEVPTSLRRLEQPNVAISLSNTLVCSVTDFYPAKIKVRWFRNGQEETVGVSSTQLIRNGDWTFQVLVMLEMTPHQGEVYTCHVEHPSLKSPITVEWS input pdb
Peptide sequence TVYVFCFLL
Simulation mc cycles200
Peptide secondary structure psipred CEEEEEEEC
Unlikely to bind regions
189:B - 93:B 180:A - 80:A
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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
model_3 Download
model_4 Download
model_5 Download
model_6 Download
model_7 Download
model_8 Download
model_9 Download
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) 47.9334 3.77608 17.8086 181
cluster_2.pdb ( medoid) 34.3418 1.9801 11.434 68
cluster_3.pdb ( medoid) 19.6248 3.26117 31.5662 64
cluster_4.pdb ( medoid) 19.4411 12.1907 33.3061 237
cluster_5.pdb ( medoid) 17.1405 7.81773 34.7125 134
cluster_6.pdb ( medoid) 15.4288 4.86103 14.5806 75
cluster_7.pdb ( medoid) 14.6461 4.43805 11.6559 65
cluster_8.pdb ( medoid) 10.5258 7.31538 26.1228 77
cluster_9.pdb ( medoid) 8.12474 7.50793 20.3185 61
cluster_10.pdb ( medoid) 4.44234 8.55405 31.0938 38

 
Laboratory of Theory of Biopolymers 2015