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

Status: done

submitted: 2015-02-23 11:18:39, status changed: 2015-03-13 11:13:16

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
model_2 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) 41.8672 4.20377 17.3562 176
cluster_2.pdb ( medoid) 40.5203 1.75221 8.99133 71
cluster_3.pdb ( medoid) 40.3361 2.47917 5.25355 100
cluster_4.pdb ( medoid) 34.4898 3.39231 6.85316 117
cluster_5.pdb ( medoid) 33.5797 4.46699 12.0312 150
cluster_6.pdb ( medoid) 28.3326 3.81186 10.1581 108
cluster_7.pdb ( medoid) 14.7802 6.2922 13.3648 93
cluster_8.pdb ( medoid) 9.8778 5.97299 13.0958 59
cluster_9.pdb ( medoid) 5.81047 6.36782 14.8769 37
cluster_10.pdb ( medoid) 5.08072 17.5172 39.8283 89
Laboratory of Theory of Biopolymers 2015