Project name: 2fgr bound default A DNWQNGTS ss: CCCECCCC

Status: done

submitted: 2015-02-19 18:28:26, status changed: 2015-03-13 11:18:15

Project settings
Protein sequence(s) ESSVTLFGIVDTNVAYVNKDAAGDSRYGLGTSGASTSRLGLRGTEDLGGGLKAGFWLEGEIFGDDGNASGFNFKRRSTVSLSGNFGEVRLGRDLVPTSQKLTSYDLFSATGIGPFMGFRNWAAGQGADDNGIRANNLISYYTPNFGGFNAGFGYAFDEKQTIGTADSVGRYIGGYVAYDNGPLSASLGLAQQKTAVGGLATDRDEITLGASYNFGVAKLSGLLQQTKFKRDIGGDIKTNSYMLGASAPVGGVGEVKLQYALYDQKAIDSKAHQITLGYVHNLSKRTALYGNLAFLKNKDASTLGLQAKGVYAGGVQAGESQTGVQVGIRHAF input pdb
Peptide sequence DNWQNGTS
Simulation mc cycles50
Peptide secondary structure CCCECCCC
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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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) 138.899 0.806341 8.02094 112
cluster_2.pdb ( medoid) 33.1277 4.89017 10.6431 162
cluster_3.pdb ( medoid) 27.7906 5.61341 31.7574 156
cluster_4.pdb ( medoid) 21.9915 6.63891 16.1348 146
cluster_5.pdb ( medoid) 20.961 4.72305 10.296 99
cluster_6.pdb ( medoid) 20.7135 3.23461 9.83437 67
cluster_7.pdb ( medoid) 20.0286 7.23966 34.0579 145
cluster_8.pdb ( medoid) 11.5949 5.26092 14.2157 61
cluster_9.pdb ( medoid) 4.06365 2.70692 4.61734 11
cluster_10.pdb ( medoid) 3.58463 11.4377 30.5636 41
Laboratory of Theory of Biopolymers 2015