Project name: 1I7G unbound default 3 run A ARHKILHRLLQE ss: CCCHHHHHHHHC

Status: done

submitted: 2015-02-25 18:47:41, status changed: 2015-03-13 10:54:07

Project settings
Protein sequence(s) ETADLKSLAKRIYEAYLKNFNMNKVKARVILSGSNNPPFVIHDMETLCMAEKTLQNKEAEVRIFHCCQCTSVETVTELTEFAKAIPGFANLDLNDQVTLLKYGVYEAIFAMLSSVMNKDGMLVAYGNGFITREFLKSLRKPFCDIMEPKFDFAMKFNALELDDSDISLFVAAIICCGDRPGLLNVGHIEKMQEGIVHVLRLHLQSNHPDDIFLFPKLLQKMADLRQLVTEHAQLVQIIKKTESDAALHPLLQEIYRDMY 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
model_1 Download
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model_7 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
replica_3 Download
replica_4 Download
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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) 32.7062 5.41182 14.4614 177
cluster_2.pdb ( medoid) 29.7659 3.79628 11.5133 113
cluster_3.pdb ( medoid) 24.7149 1.7803 21.8185 44
cluster_4.pdb ( medoid) 24.5518 8.67554 29.199 213
cluster_5.pdb ( medoid) 22.2167 7.56189 19.9582 168
cluster_6.pdb ( medoid) 21.0906 5.54749 17.3358 117
cluster_7.pdb ( medoid) 9.92515 3.7279 6.79375 37
cluster_8.pdb ( medoid) 6.84546 9.64143 35.8838 66
cluster_9.pdb ( medoid) 5.01163 6.38515 26.7421 32
cluster_10.pdb ( medoid) 4.52702 7.28956 14.2173 33
Laboratory of Theory of Biopolymers 2015