Project name: Gbg-SNAP25ct structure 2

Status: done

submitted: 2017-09-12 15:59:30, status changed: 2017-09-13 08:51:20

Project settings
Protein sequence(s) MAPGGYVAPKAVWLPAVKAKGLEISSGTFTHRQGHIYMEEMNFTNKALQHMTDFAIQFNKNSFGVIPSTPLAIHTPLMPNQSIDVSLPLNTLGPVMKMEPLNNLQVAVVKNNIDVFYFSCLIPLNVLFVEDGKMERQVFLATWKDIPNENELQFQIKECHLNADTVSSKLQNNNVYTIAKRNVEGQDMLYQSLKLTNGIWILAELRIQPGNPNYTLSLKCRAPEVVSQYIYQVYDSILKNGGYVAPKAVWLPAVKAKGLEISGTFTHRQGHIYMEMNFTNKALQHHMTDFAIQFNKNSFGVIPSTPLAIHTPLMPNQSIDVSLPLNTLGPVMKMEPLNNLQVAVKNNIDVFYFSCLIPLNVLFVEDGKMERQVFLATWKDDIPNENELQFQIKECHLNADTVSSSKLQNNNVYTIAKRNVEGQDMLLYQSLKLTNGIWILAELRIQPGNPNYTLSLKCRAPEVSQYIYQVYDSILKN input pdb
Peptide sequence SFGDGFADF
Simulation mc cycles50
Peptide secondary structure CCCCHHHHC
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 3Dmol (WebGL)
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) 27.8747 2.54712 8.02217 71
cluster_2.pdb ( medoid) 26.9188 6.12956 38.4498 165
cluster_3.pdb ( medoid) 22.9832 4.65557 46.4966 107
cluster_4.pdb ( medoid) 19.8041 6.4128 47.0074 127
cluster_5.pdb ( medoid) 16.0363 3.24265 20.7265 52
cluster_6.pdb ( medoid) 12.8242 8.49953 40.5834 109
cluster_7.pdb ( medoid) 12.1061 8.75593 56.2851 106
cluster_8.pdb ( medoid) 8.406 6.42398 12.923 54
cluster_9.pdb ( medoid) 4.25524 9.87018 35.4244 42
cluster_10.pdb ( medoid) 2.02065 23.7548 59.3075 48

 
Laboratory of Theory of Biopolymers 2015