Project name: 1mvu bound default 2 runAB VVQEALDKAREGR ss: CHHHHHHHHHHCC

Status: done

submitted: 2015-02-23 11:18:28, status changed: 2015-03-13 11:16:10

Project settings
Protein sequence(s) DIVMTQSPSSLTVTAGEKVTMSCKSSQSLLNSGNQKNYLTWYQQKPGQPPKLLIYWASTRESGVPDRFTGSGSGTDFTLTISSVQAEDLAVYYCQNDYSYPLTFGAGTKLEPEVQLQQSGAELVRPGASVKLSCTASGFNIKDDFMHWVKQRPEQGLEWIGRIDPANDNTKYAPKFQDKATIIADTSSNTAYLQLSSLTSEDTAVYYCARRELYSYYSPLDVWGAGTTVTVPS input pdb
Peptide sequence VVQEALDKAREGR
Simulation mc cycles50
Peptide secondary structure CHHHHHHHHHHCC
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_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
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
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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) 38.0681 3.59882 21.8009 137
cluster_2.pdb ( medoid) 24.2876 3.33503 10.2506 81
cluster_3.pdb ( medoid) 17.3074 6.81788 36.2608 118
cluster_4.pdb ( medoid) 17.0927 14.9186 61.7938 255
cluster_5.pdb ( medoid) 14.5755 4.59675 10.5778 67
cluster_6.pdb ( medoid) 10.8734 7.81728 27.5094 85
cluster_7.pdb ( medoid) 6.95844 8.47891 27.2393 59
cluster_8.pdb ( medoid) 6.75954 7.84077 23.4758 53
cluster_9.pdb ( medoid) 6.42489 11.9846 37.6695 77
cluster_10.pdb ( medoid) 5.57615 12.1948 40.82 68
Laboratory of Theory of Biopolymers 2015