Project name: 2FGQ unbound default 2 run X DNWQNGTS ss: CCCCCCCC

Status: done

submitted: 2015-02-25 18:46:54, status changed: 2015-03-13 11:29:41

Project settings
Protein sequence(s) SVTLFGIVDTNVAYVNKDAAGDSRYGLGTSGASTSRLGLRGTEDLGGGLKAGFWLEGEIFGDDGNASGFNFKRRSTVSLSGNFGEVRLGRDLVPTSQKLTSYDLFSATGIGPFMGFRNWAAGQGADDNGIRANNLISYYTPNFGGFNAGFGYAFDEKQTIGTADSVGRYIGGYVAYDNGPLSASLGLAQQKTAVGGLATDRDEITLGASYNFGVAKLSGLLQQTKFKRDIGGDIKTNSYMLGASAPVGGVGEVKLQYALYDQKAIDSKAHQITLGYVHNLSKRTALYGNLAFLKNKDASTLGLQAKGVYAGGVQAGESQTGVQVGIRHAF input pdb
Peptide sequence DNWQNGTS
Simulation mc cycles50
Peptide secondary structure CCCCCCCC
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
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model_6 Download
model_7 Download
model_8 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) 127.764 1.55755 6.04807 199
cluster_2.pdb ( medoid) 37.074 2.83217 29.0871 105
cluster_3.pdb ( medoid) 32.4196 2.96118 9.45193 96
cluster_4.pdb ( medoid) 21.5417 6.59185 12.664 142
cluster_5.pdb ( medoid) 19.5714 4.18979 10.1068 82
cluster_6.pdb ( medoid) 17.1737 5.24057 12.3394 90
cluster_7.pdb ( medoid) 15.4227 7.32686 34.3597 113
cluster_8.pdb ( medoid) 13.1313 4.87385 12.4372 64
cluster_9.pdb ( medoid) 12.2276 2.12633 4.20628 26
cluster_10.pdb ( medoid) 6.09858 13.6097 35.6765 83
Laboratory of Theory of Biopolymers 2015