Project name: 1N83 unbound default 2 run A HKILHRLLQE ss: CHHHHHHHHC

Status: done

submitted: 2015-02-25 18:46:48, status changed: 2015-03-13 11:07:43

Project settings
Protein sequence(s) HHLEVLFQGPAELEHLAQNISKSHLETCQYLREELQQITWQTFLQEEIENYQNKQREVMWQLCAIKITEAIQYVVEFAKRIDGFMELCQNDQIVLLKAGSLEVVFIRMCRAFDSQNNTVYFDGKYASPDVFKSLGCEDFISFVFEFGKSLCSMHLTEDEIALFSAFVLMSADRSWLQEKVKIEKLQQKIQLALQHVLQKNHREDGILTKLICKVSTLRALCGRHTEKLMAFKAIYPDIVRLHFPPLYKELF input pdb
Peptide sequence HKILHRLLQE
Simulation mc cycles50
Peptide secondary structure CHHHHHHHHC
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
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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
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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) 47.3373 3.52787 10.2872 167
cluster_2.pdb ( medoid) 40.5966 4.01512 22.128 163
cluster_3.pdb ( medoid) 17.9078 5.47249 24.0097 98
cluster_4.pdb ( medoid) 14.237 6.32158 26.203 90
cluster_5.pdb ( medoid) 11.7329 7.41507 23.0801 87
cluster_6.pdb ( medoid) 9.67635 11.988 32.67 116
cluster_7.pdb ( medoid) 7.57608 4.7518 8.06385 36
cluster_8.pdb ( medoid) 7.56061 12.6974 32.719 96
cluster_9.pdb ( medoid) 7.0098 15.6923 30.1894 110
cluster_10.pdb ( medoid) 5.73499 6.45163 17.4722 37
Laboratory of Theory of Biopolymers 2015