Project name: 1EG3 unbound default A NMTPYRSPPPYVP ss: CCCCCCCCCCCCC

Status: done

submitted: 2015-02-20 17:44:32, status changed: 2015-03-13 11:20:00

Project settings
Protein sequence(s) PASQHFLSTSVQGPWERAISPNKVPYYINHETQTTCWDHPKMTELYQSLADLNNVRFSAYRTAMKLRRLQKALCLDLLSLSAACDALDQHNLKQNDQPMDILQIINCLTTIYDRLEQEHNNLVNVPLCVDMCLNWLLNVYDTGRTGRIRVLSFKTGIISLCKAHLEDKYRYLFKQVASSTGFCDQRRLGLLLHDSIQIPRQLGEVASFGGSNIEPSVRSCFQFANNKPEIEAALFLDWMRLEPQSMVWLPVLHRVAAAET input pdb
Peptide sequence NMTPYRSPPPYVP
Simulation mc cycles50
Peptide secondary structure CCCCCCCCCCCCC
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
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Click the "View" button to load the contact map of appropriate model.
Representative conformations
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model_4 View
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model_6 View
model_7 View
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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
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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) 29.8312 4.25729 12.3077 127
cluster_2.pdb ( medoid) 22.1562 4.42314 15.3293 98
cluster_3.pdb ( medoid) 21.9397 6.56345 35.037 144
cluster_4.pdb ( medoid) 13.8086 6.22802 20.1914 86
cluster_5.pdb ( medoid) 12.3839 6.78299 37.2748 84
cluster_6.pdb ( medoid) 12.2763 7.90138 27.5798 97
cluster_7.pdb ( medoid) 9.75355 9.9451 40.726 97
cluster_8.pdb ( medoid) 9.37127 8.75015 19.2428 82
cluster_9.pdb ( medoid) 9.28148 9.05028 19.6011 84
cluster_10.pdb ( medoid) 5.95091 16.9722 35.3439 101
Laboratory of Theory of Biopolymers 2015