Project name: 2ALF unbound default 2 run A HAGPIA ss: CCCCCC

Status: done

submitted: 2015-02-25 18:46:44, status changed: 2015-03-13 11:02:45

Project settings
Protein sequence(s) VNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGFMCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTKWLDGKHVVFGAVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE input pdb
Peptide sequence HAGPIA
Simulation mc cycles50
Peptide secondary structure CCCCCC
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
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) 63.2855 1.32732 5.76131 84
cluster_2.pdb ( medoid) 41.6987 3.71714 31.5911 155
cluster_3.pdb ( medoid) 31.8777 3.88987 20.1894 124
cluster_4.pdb ( medoid) 30.7572 4.38922 24.1222 135
cluster_5.pdb ( medoid) 20.8035 2.06696 8.30435 43
cluster_6.pdb ( medoid) 15.1709 4.87775 10.4778 74
cluster_7.pdb ( medoid) 13.1527 14.1415 41.5215 186
cluster_8.pdb ( medoid) 10.0922 5.9452 35.247 60
cluster_9.pdb ( medoid) 10.06 8.34991 33.9269 84
cluster_10.pdb ( medoid) 4.6532 11.8198 31.7674 55
Laboratory of Theory of Biopolymers 2015