Project name: MDMX_8

Status: done

submitted: 2018-07-10 01:18:18, status changed: 2018-07-23 22:49:17

Project settings
Protein sequence(s) QINQVRPKLPLLKILHAAGAQGEMFTVKEVMHYLGQYIMVKQLYDQQEQHMVYCGGDLLGELLGRQSFSVKDPSPLYDMLRKNLVTLATSQETFSDLWKLLPEN input pdb
Peptide sequence ETFSDLWKLLPE
Simulation mc cycles50
Peptide secondary structure psipred CHHHHHHHHCCC
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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) 38.0623 3.15272 13.5503 120
cluster_2.pdb ( medoid) 31.4878 4.12859 11.2533 130
cluster_3.pdb ( medoid) 23.5424 5.60691 28.187 132
cluster_4.pdb ( medoid) 22.8625 6.47347 29.4287 148
cluster_5.pdb ( medoid) 20.2253 6.22982 34.6159 126
cluster_6.pdb ( medoid) 15.0377 5.05397 17.2957 76
cluster_7.pdb ( medoid) 9.63456 7.68069 22.8717 74
cluster_8.pdb ( medoid) 7.08347 8.47042 17.8451 60
cluster_9.pdb ( medoid) 4.2743 18.0146 40.2429 77
cluster_10.pdb ( medoid) 3.26857 17.4388 37.5182 57

 
Laboratory of Theory of Biopolymers 2015