Project name: MGG4

Status: done

submitted: 2018-10-09 15:53:59, status changed: 2018-10-10 03:35:17

Project settings
Protein sequence(s) DDIVMTTQSSPDSLAVSLGERATINCRSSQSVLSSSNNKNYLAWYQHKPRQPPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQYYTASPFFGGGTKVEIKRTVAAPSSVFIFPPSDEEQLKSGTASVVCLLNNNFYPRREAKVQQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEEKHKVYACEVTTHQGLSSPVTKSFNRGEPVQLVEESGGGVVQPGRSLRRLSCAASGFRFSDYGMHWVRQAPGKGLEWVALIWYDGSNESYLDSVKGRFTISRDNSKNTLYLQMNNLRTEDTAVYYCCAKLLVGITTDDVFDVWGQQGTVVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQQTYICNVNHKPSNTTKVDKRVEPK input pdb
Peptide sequence KQPADGNPDPNANPN
Simulation mc cycles50
Peptide secondary structure psipred CCCCCCCCCCCCCCC
Flexible regions
102:H - 93:H 89:L - 98:L
Unlikely to bind regions
213:L - 99:L 54:L - 86:L 35:L - 42:L 1:L - 26:L 59:H - 92:H
38:H - 47:H 1:H - 24:H 104:H - 214:H 213:L - 99:L
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.
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) 17.7274 5.47175 29.3622 97
cluster_2.pdb ( medoid) 14.8405 7.54692 35.2678 112
cluster_3.pdb ( medoid) 11.9604 9.02976 22.7298 108
cluster_4.pdb ( medoid) 10.8541 10.2266 30.3564 111
cluster_5.pdb ( medoid) 8.76579 12.7769 34.7538 112
cluster_6.pdb ( medoid) 7.73465 11.6359 23.3557 90
cluster_7.pdb ( medoid) 7.14855 9.51242 36.8801 68
cluster_8.pdb ( medoid) 7.14501 16.655 39.7585 119
cluster_9.pdb ( medoid) 4.79014 14.8221 30.8099 71
cluster_10.pdb ( medoid) 1.74637 10.8797 31.3666 19

 
Laboratory of Theory of Biopolymers 2015