Project name: 4493_npdp

Status: done

submitted: 2018-10-12 12:14:54, status changed: 2018-10-12 17:56:25

Project settings
Protein sequence(s) EVQLLESGGGLVQPGRSLRLSCTASGFTFGDYAMSWVRQAPGKGLEWVGFIRSKANGGRTENPASVKGRFTISRDDSKSIAYLQMNSLKTEDTAVYYCTRVELGSSWSLGYWGQGTLVTVSEIVLTQTPSTLSLSPGERATLSCRASQSVSSTYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPWTFGQGTKVEIKRL input pdb
Peptide sequence NPDPNANPNVDPNANP
Simulation mc cycles50
Peptide secondary structure psipred CCCCCCCCCCCCCCCC
Flexible regions
100:L - 89:L 101:H - 93:H
Unlikely to bind regions
36:L - 88:L 2:L - 28:L 53:H - 90:H 31:H - 4:H 109:L - 99:L
106:H - 112:H
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) 15.8033 12.9087 46.9272 204
cluster_2.pdb ( medoid) 15.487 7.1673 33.4217 111
cluster_3.pdb ( medoid) 13.4157 9.31746 43.8463 125
cluster_4.pdb ( medoid) 9.74567 10.9792 33.7489 107
cluster_5.pdb ( medoid) 8.25891 10.1708 24.0487 84
cluster_6.pdb ( medoid) 7.15704 14.5311 39.0833 104
cluster_7.pdb ( medoid) 6.55131 10.6849 20.2815 70
cluster_8.pdb ( medoid) 4.58488 17.4487 36.2206 80
cluster_9.pdb ( medoid) 3.64086 21.1488 46.672 77
cluster_10.pdb ( medoid) 2.87349 13.2243 31.2735 38

 
Laboratory of Theory of Biopolymers 2015