Project name: Inteiro Cesar

Status: done

submitted: 2018-01-10 16:56:56, status changed: 2018-01-10 22:16:50

Project settings
Protein sequence(s) TPPTLNITEESHVIDTGDSLSISCRGQHPLEWAWPGAQEAPATGDKDSERPYCKVLLLHEVHANDTGSYVCYYTAASSYVFVRDFEQPFINKPDTLLVNRKDAMWVPCLVSIPGLNVTLRSQSSVLWPDGQEVVWDDRRGMLVSTPLLHDALYLQCETTWQDFLSNPFLVHINTEILKSIDNEWRKTQCMPREVAIDVGKEFGVATNTFFKPPCVSVYRCGGCCNSEGLQCMNTSTSYLSKTLFEITVPLSQGPKPVTISFANHTSCRCM input pdb
Peptide sequence PCAIWFGAAGAEWLCGRGAAGAE
Simulation mc cycles50
Peptide secondary structure psipred CCEEEECCCCHHHHHHCCCCCCC
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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) 15.9173 14.324 38.4085 228
cluster_2.pdb ( medoid) 14.0688 6.75253 29.284 95
cluster_3.pdb ( medoid) 13.4299 11.9882 42.4384 161
cluster_4.pdb ( medoid) 13.0974 10.7655 42.8436 141
cluster_5.pdb ( medoid) 6.90369 12.3123 31.0584 85
cluster_6.pdb ( medoid) 5.46554 16.6498 41.4418 91
cluster_7.pdb ( medoid) 5.11007 10.5674 26.0344 54
cluster_8.pdb ( medoid) 3.70239 17.016 40.4914 63
cluster_9.pdb ( medoid) 3.07216 18.8792 37.4267 58
cluster_10.pdb ( medoid) 2.04081 11.76 20.5453 24

 
Laboratory of Theory of Biopolymers 2015