Project name: 4493_nvdp

Status: done

submitted: 2018-10-12 12:06:05, status changed: 2018-10-12 18:21:22

Project settings
Protein sequence(s) EVQLLESGGGLVQPGRSLRLSCTASGFTFGDYAMSWVRQAPGKGLEWVGFIRSKANGGRTENPASVKGRFTISRDDSKSIAYLQMNSLKTEDTAVYYCTRVELGSSWSLGYWGQGTLVTVSEIVLTQTPSTLSLSPGERATLSCRASQSVSSTYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPWTFGQGTKVEIKRL input pdb
Peptide sequence NVDPNANPNVDPNANPNVDP
Simulation mc cycles50
Peptide secondary structure psipred CCCCCCCCCCCCCCCCCCCC
Flexible regions
101:L - 89:L 103:H - 93:H
Unlikely to bind regions
57:L - 85:L 36:L - 43:L 2:L - 28:L 54:H - 89:H 31:H - 4:H
105:H - 112:H 101:L - 109: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) 51.9647 1.94363 8.00668 101
cluster_2.pdb ( medoid) 24.8325 4.10753 12.1048 102
cluster_3.pdb ( medoid) 17.7073 8.52758 31.6729 151
cluster_4.pdb ( medoid) 15.3205 14.2293 47.0396 218
cluster_5.pdb ( medoid) 13.8786 9.43898 47.0169 131
cluster_6.pdb ( medoid) 8.97847 12.1402 44.0513 109
cluster_7.pdb ( medoid) 4.64582 17.6503 47.6033 82
cluster_8.pdb ( medoid) 4.23574 8.02693 24.2281 34
cluster_9.pdb ( medoid) 2.92281 9.92197 27.5666 29
cluster_10.pdb ( medoid) 2.44649 17.5762 38.5228 43

 
Laboratory of Theory of Biopolymers 2015