Project name: 1awr bound default C HAGPIA ss: CCCCCC

Status: done

submitted: 2015-02-19 18:25:24, status changed: 2015-03-13 11:06:08

Project settings
Protein sequence(s) VNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGFMCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE 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
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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) 82.8009 1.55795 18.6032 129
cluster_2.pdb ( medoid) 38.9228 4.29054 24.6297 167
cluster_3.pdb ( medoid) 26.1483 6.11895 23.5102 160
cluster_4.pdb ( medoid) 20.2355 4.74413 20.3374 96
cluster_5.pdb ( medoid) 16.5234 6.71775 34.977 111
cluster_6.pdb ( medoid) 8.93849 6.93629 24.3841 62
cluster_7.pdb ( medoid) 7.69576 13.2541 38.4364 102
cluster_8.pdb ( medoid) 6.12661 13.3842 42.4601 82
cluster_9.pdb ( medoid) 4.04159 11.8765 32.3514 48
cluster_10.pdb ( medoid) 2.89223 14.8674 36.6486 43
Laboratory of Theory of Biopolymers 2015