Project name: 4493_0672_nvdp

Status: done

submitted: 2018-10-12 13:10:35, status changed: 2018-10-12 18:52:47

Project settings
Protein sequence(s) EVQLLESGGGLVQPGRSLRLSCTASGFTFGDYAMSWVRQAPGKGLEWVGFIRSKANGGRTENPASVKGRFTISRDDSKSIAYLQMNSLKTEDTAVYYCTRVELGSSWSLGYWGQGTLVTVSEIVLTQTPSTLSLSPGERATLSCRASQSVSSTYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPWTFGQGTKVEIKRL input pdb
Peptide sequence NVDPNANPNVDPNANPNVDP
Simulation mc cycles50
Peptide secondary structure psipred CCCCCCCCCCCCCCCCCCCC
Flexible regions
105:H - 93:H 89:L - 99:L
Unlikely to bind regions
26:H - 4:H 38:H - 48:H 62:H - 91:H 104:H - 112:H 109:L - 98:L
36:L - 90:L 1:L - 30A: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) 71.9828 1.40311 16.1987 101
cluster_2.pdb ( medoid) 18.2657 6.67919 42.67 122
cluster_3.pdb ( medoid) 12.3472 12.0675 39.9084 149
cluster_4.pdb ( medoid) 11.4041 9.03182 26.5711 103
cluster_5.pdb ( medoid) 10.6245 13.4594 49.9717 143
cluster_6.pdb ( medoid) 9.80828 14.1717 42.6388 139
cluster_7.pdb ( medoid) 4.3319 17.3134 44.0434 75
cluster_8.pdb ( medoid) 3.74119 19.5125 42.8296 73
cluster_9.pdb ( medoid) 3.02579 17.8466 36.8224 54
cluster_10.pdb ( medoid) 2.47106 16.5921 41.0858 41

 
Laboratory of Theory of Biopolymers 2015