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

Status: done

submitted: 2015-02-23 11:18:41, status changed: 2015-03-13 11:04:05

Project settings
Protein sequence(s) QVTLKESGPGILKPSQTLSLTCSFSGFSLSTSGMGVGWIRQPSGKGLEWLAHIWWDDDRSYNPSLKSQLTISKDAARNQVFLRITSVDTADTATYYCVRRAHTTVLGDWFAYWGQGTLVTVSAAKTTAPSVYPLAPVCGGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSGLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPRGPTDVLMTQTPLSLPVSLGDQASISCRSSQSIVHSNGNTYLEWYLQKPGQSPKLLIYKVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDLGVYYCFQGSHVPLTFGAGTKLELKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC input pdb
Peptide sequence AEFRHDS
Simulation mc cycles50
Peptide secondary structure CECCCCC
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
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model_6 View
model_7 View
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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
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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) 21.4274 8.49381 38.166 182
cluster_2.pdb ( medoid) 15.2334 8.13999 28.3852 124
cluster_3.pdb ( medoid) 14.1262 5.59244 29.6922 79
cluster_4.pdb ( medoid) 11.6566 9.09353 27.8102 106
cluster_5.pdb ( medoid) 11.6191 10.0696 38.7962 117
cluster_6.pdb ( medoid) 10.6696 8.34143 35.1011 89
cluster_7.pdb ( medoid) 9.4453 9.95204 34.2856 94
cluster_8.pdb ( medoid) 7.02866 13.9429 35.5452 98
cluster_9.pdb ( medoid) 6.13212 11.0891 26.9114 68
cluster_10.pdb ( medoid) 3.13848 13.7009 36.0523 43
Laboratory of Theory of Biopolymers 2015