Project name: LCAT_peptide_mutant

Status: done

submitted: 2017-09-12 14:27:10, status changed: 2017-09-13 04:08:33

Project settings
Simulation mc cycles50
Peptide secondary structure CCCCCCCCCCCCCCCCCCCCC
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

Download all files
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) 39.0809 5.27112 26.5067 206
cluster_2.pdb ( medoid) 16.4541 9.5417 28.7549 157
cluster_3.pdb ( medoid) 7.39938 16.2176 42.2489 120
cluster_4.pdb ( medoid) 7.2093 15.9516 34.0248 115
cluster_5.pdb ( medoid) 7.20317 18.1864 43.7649 131
cluster_6.pdb ( medoid) 6.5882 6.67861 14.8984 44
cluster_7.pdb ( medoid) 5.73371 8.37154 37.1719 48
cluster_8.pdb ( medoid) 5.02361 11.7446 27.4235 59
cluster_9.pdb ( medoid) 4.59894 15.4383 43.5999 71
cluster_10.pdb ( medoid) 3.0648 15.988 34.1858 49

Laboratory of Theory of Biopolymers 2015