Project name: 2ipu bound default 3 runHL AEFRHDS ss: CECCCCC

Status: done

submitted: 2015-02-23 11:19:15, status changed: 2015-03-13 11:28:35

Project settings
Protein sequence(s) QVTLKESGPGILKPSQTLSLTCSFSGFSLSTSGMGVGWIRQPSGKGLEWLAHIWWDDDRSYNPSLKSQLTISKDAARNQVFLRITSVDTADTATYYCVRRAHTTVLGDWFAYWGQGTLVTVSAAKTTAPSVYPLAPVCGGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSGLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPRGPTDVLMTQTPLSLPVSLGDQASISCRSSQSIVHSNGNTYLEWYLQKPGQSPKLLIYKVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDLGVYYCFQGSHVPLTFGAGTKLELKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC input pdb
Peptide sequence AEFRHDS
Simulation mc cycles50
Peptide secondary structure CECCCCC
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.
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) 27.168 4.52739 21.0111 123
cluster_2.pdb ( medoid) 17.8194 10.0452 33.506 179
cluster_3.pdb ( medoid) 15.1147 8.86554 35.2281 134
cluster_4.pdb ( medoid) 12.3234 8.3581 24.3935 103
cluster_5.pdb ( medoid) 10.0487 10.5486 33.5967 106
cluster_6.pdb ( medoid) 7.04487 13.7689 40.5949 97
cluster_7.pdb ( medoid) 5.96082 11.0723 26.4774 66
cluster_8.pdb ( medoid) 5.77446 16.2786 38.5515 94
cluster_9.pdb ( medoid) 3.4938 10.8764 32.1282 38
cluster_10.pdb ( medoid) 3.28591 18.2598 37.0327 60
Laboratory of Theory of Biopolymers 2015