Project name: 2p54 bound default 3 runA ARHKILHRLLQE ss: CCCHHHHHHHHC

Status: done

submitted: 2015-02-23 11:19:18, status changed: 2015-03-13 11:08:24

Project settings
Protein sequence(s) DLKSLAKRIYEAYLKNFNMNKVKARVILSGKASNNPPFVIHDMETLCMAEKTLVAKLVANGIQNKEAEVRIFHCCQCTSVETVTELTEFAKAIPGFANLDLNDQVTLLKYGVYEAIFAMLSSVMNKDGMLVAYGNGFITREFLKSLRKPFCDIMEPKFDFAMKFNALELDDSDISLFVAAIICCGDRPGLLNVGHIEKMQEGIVHVLRLHLQSNHPDDIFLFPKLLQKMADLRQLVTEHAQLVQIIKKTESDAALHPLLQEIYRDMY input pdb
Peptide sequence ARHKILHRLLQE
Simulation mc cycles50
Peptide secondary structure CCCHHHHHHHHC
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
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Click the "View" button to load the contact map of appropriate model.
Representative conformations
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model_7 View
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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_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) 35.1708 3.66781 29.4127 129
cluster_2.pdb ( medoid) 27.3752 5.84471 16.5858 160
cluster_3.pdb ( medoid) 26.8546 2.94177 15.7305 79
cluster_4.pdb ( medoid) 21.3327 8.29711 17.876 177
cluster_5.pdb ( medoid) 19.0193 4.67946 9.81057 89
cluster_6.pdb ( medoid) 17.1562 4.19673 15.7558 72
cluster_7.pdb ( medoid) 14.6901 9.73446 32.7869 143
cluster_8.pdb ( medoid) 4.63798 17.6801 38.3332 82
cluster_9.pdb ( medoid) 4.12613 10.179 18.0938 42
cluster_10.pdb ( medoid) 2.06462 13.0775 29.1075 27
Laboratory of Theory of Biopolymers 2015