Project name: 3bwa bound default 3 runA FPTKDVAL ss: CCCCCCCC

Status: done

submitted: 2015-02-23 11:19:20, status changed: 2015-03-13 11:21:22

Project settings
Protein sequence(s) GSHSMRYFYTAMSRPGRGEPRFIAVGYVDDTQFVRFDSDAASPRTEPRAPWIEQEGPEYWDRNTQIFKTNTQTYRESLRNLRGYYNQSEAGSHIIQRMYGCDLGPDGRLLRGHDQSAYDGKDYIALNEDLSSWTAADTAAQITQRKWEAARVAEQRRAYLEGLCVEWLRRYLENGKETLQRADPPKTHVTHHPVSDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDRTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWEP input pdb
Peptide sequence FPTKDVAL
Simulation mc cycles50
Peptide secondary structure CCCCCCCC
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
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
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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) 66.763 1.84234 10.9769 123
cluster_2.pdb ( medoid) 45.3075 2.95757 24.8546 134
cluster_3.pdb ( medoid) 35.4954 2.36651 16.1276 84
cluster_4.pdb ( medoid) 23.0933 3.03118 5.93737 70
cluster_5.pdb ( medoid) 19.4133 8.03572 31.9867 156
cluster_6.pdb ( medoid) 15.3943 8.89938 21.7028 137
cluster_7.pdb ( medoid) 14.3592 4.10885 14.6884 59
cluster_8.pdb ( medoid) 8.20431 10.6042 32.4478 87
cluster_9.pdb ( medoid) 7.91657 6.69482 19.6161 53
cluster_10.pdb ( medoid) 6.31802 15.3529 42.4736 97
Laboratory of Theory of Biopolymers 2015