Project name: gdapHD_helix

Status: done

submitted: 2018-07-09 16:54:19, status changed: 2018-07-24 00:23:00

Project settings
Protein sequence(s) KLILYHWTHSFSSQKVRLVIAEKALKCEEHDVSLPLSEHNEPWFMRLNSTGEVPVLIHGENIICEATQIIDYLEQTFLDEAAANTESELKKLAEENPDLQEAYIAKQKRLKSKLLDHDNVKYLKKILDELEKVLDQVETELQRRNEETPEEGQQPWLCGESFTLADVSLAVTLHRLKFLGFARRNWGNGKRPNLETYYERVLKRKTFNKV input pdb
Peptide sequence VLGHVNNILISAVLPTAFRVA
Simulation mc cycles50
Peptide secondary structure HHHHHHHHHHHHHHHHHHHHH
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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) 29.162 3.84061 26.1239 112
cluster_2.pdb ( medoid) 22.7576 6.0639 38.4726 138
cluster_3.pdb ( medoid) 19.5911 5.81898 27.2775 114
cluster_4.pdb ( medoid) 17.5669 6.26176 29.756 110
cluster_5.pdb ( medoid) 17.3917 6.32487 16.3468 110
cluster_6.pdb ( medoid) 14.9939 9.93734 35.5047 149
cluster_7.pdb ( medoid) 6.83775 8.62856 20.2326 59
cluster_8.pdb ( medoid) 4.57659 18.1358 43.5639 83
cluster_9.pdb ( medoid) 4.49859 16.2273 39.2824 73
cluster_10.pdb ( medoid) 2.62173 19.8342 44.1395 52

 
Laboratory of Theory of Biopolymers 2015