Project name: FrankHA5C7

Status: done

submitted: 2017-09-13 19:28:24, status changed: 2017-09-15 02:19:47

Project settings
Protein sequence(s) DIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECEVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEP input pdb
Peptide sequence WQDVSDRQHTFWEIY
Simulation mc cycles50
Peptide secondary structure psipred CCCCCCCCCCEEEEC
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
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) 55.2057 1.82952 7.37114 101
cluster_2.pdb ( medoid) 38.3122 2.76674 25.1773 106
cluster_3.pdb ( medoid) 32.5604 3.2862 19.313 107
cluster_4.pdb ( medoid) 26.1892 3.2838 12.8758 86
cluster_5.pdb ( medoid) 22.0737 5.43634 20.9681 120
cluster_6.pdb ( medoid) 19.3669 8.31315 24.4664 161
cluster_7.pdb ( medoid) 17.3846 5.52212 17.1423 96
cluster_8.pdb ( medoid) 15.9964 6.43897 13.9518 103
cluster_9.pdb ( medoid) 7.34445 10.8926 26.1813 80
cluster_10.pdb ( medoid) 3.56318 11.2259 25.4575 40

 
Laboratory of Theory of Biopolymers 2015