Project name: cela BDNF

Status: done

submitted: 2018-01-11 09:58:24, status changed: 2018-01-11 14:28:17

Project settings
Protein sequence(s) VVGGTEAQRNSWPSQISLQYRSGSSWAHTCGGTLIRQNWVMTAAHCVDRELTFRVVVGEHNLNQNDGTEQYVGVQKIVVHPYWNTDDVAAGYDIALLRLAQSVTLNSYVQLGVLPRAGTILANNSPCYITGWGLTRTNGQLAQTLQQAYLPTVDYAICSSSSYWGSTVKNSMVCAGGDGVRSGCQGDSGGPLHCLVNGQYAVHGVTSFVSRLGCNVTRKPTVFTRVSAYISWINNVIASN input pdb
Peptide sequence RTTQSYVRALTMDSKKRIGWRFIRIDTSCV
Simulation mc cycles50
Peptide secondary structure psipred CCHHHHHHHHHCCCCCCCCEEEEEEECCCC
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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) 44.9537 2.269 24.6611 102
cluster_2.pdb ( medoid) 22.7463 4.35236 24.8029 99
cluster_3.pdb ( medoid) 19.0834 6.655 35.4774 127
cluster_4.pdb ( medoid) 14.8311 5.66376 30.5154 84
cluster_5.pdb ( medoid) 10.2561 12.6754 37.1951 130
cluster_6.pdb ( medoid) 9.52225 7.87629 28.0837 75
cluster_7.pdb ( medoid) 9.09883 15.3866 28.5798 140
cluster_8.pdb ( medoid) 7.79776 11.67 35.0982 91
cluster_9.pdb ( medoid) 7.30633 14.3711 35.675 105
cluster_10.pdb ( medoid) 3.56346 13.1894 22.6988 47

 
Laboratory of Theory of Biopolymers 2015