Project name: nipah:12mer-1

Status: done

submitted: 2018-07-10 06:37:16, status changed: 2018-07-24 16:20:14

Project settings
Protein sequence(s) ICLQKTSNQILKPKLISYTLGQSGTCITDPLLAMDEEGYFAYSHLERRIGSCSRGVSKQRIIIGVGEVLDRGDEVPSLFMTNVWTPPNPNTVYHCSAVYNNNEFYYVLCAVSTVGDPILNSSTYWSGSLMMTRLAVKPKSNGGGYNQHQLALRSSIEKGRYDKVMPYGPSGIKQGDDTLYFPAVGFLVRTEFKYNDSNCPITKCQYSKPENCRLSSMGIRRPNSHYILRSGLLKYNLSDGENPKVVFIEISDQRRLSIGSPSKIYDSLGQQPVFYQASFSSWDTMIKKFGDVLLTVNPLVVNWRNNTVISRPGQSSQCPRFNTCPEICWEGVVYNDAFLIDRINWISAGVFLDSNQTAENPVFTVFKDNEILYRAQLASEEDTNAQKTITNCFLLKNKIWCISLVEIYDTGDNVIRPKLFAVKIPEQCTH input pdb
Peptide sequence QEFSPNLWGLEF
Simulation mc cycles50
Peptide secondary structure psipred CCCCCCCCCCCC
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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
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) 30.8751 5.82995 22.7126 180
cluster_2.pdb ( medoid) 29.912 2.84167 11.9391 85
cluster_3.pdb ( medoid) 27.946 5.00966 34.966 140
cluster_4.pdb ( medoid) 21.141 5.53426 36.4242 117
cluster_5.pdb ( medoid) 18.1441 5.78699 15.788 105
cluster_6.pdb ( medoid) 13.8343 6.43331 23.9668 89
cluster_7.pdb ( medoid) 9.5457 15.5044 45.1172 148
cluster_8.pdb ( medoid) 7.24582 3.45026 10.5725 25
cluster_9.pdb ( medoid) 3.52092 20.7332 56.6167 73
cluster_10.pdb ( medoid) 1.5852 23.9717 47.2018 38

 
Laboratory of Theory of Biopolymers 2015