Project name: mgp 01 pep sec str predspire

Status: done

submitted: 2017-09-13 05:26:39, status changed: 2017-09-13 08:26:48

Project settings
Peptide sequence YTTSYNASDQAK
Simulation mc cycles200
Peptide secondary structure CCEEECCCHHCC
Flexible regions
Unlikely to bind regions
Re-submit project
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.
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) 38.2925 5.35353 18.4931 205
cluster_2.pdb ( medoid) 37.8134 3.78173 16.4865 143
cluster_3.pdb ( medoid) 34.6924 5.33258 14.6781 185
cluster_4.pdb ( medoid) 20.0301 4.09383 8.94336 82
cluster_5.pdb ( medoid) 15.1111 6.88234 17.7354 104
cluster_6.pdb ( medoid) 12.1229 6.84654 13.6258 83
cluster_7.pdb ( medoid) 10.7125 8.86818 22.8174 95
cluster_8.pdb ( medoid) 7.04412 5.53653 12.0817 39
cluster_9.pdb ( medoid) 5.25422 6.09035 15.3987 32
cluster_10.pdb ( medoid) 3.76169 8.50681 18.1039 32

Laboratory of Theory of Biopolymers 2015