Project name: 6b5m_nanp_exp

Status: done

submitted: 2018-10-09 13:43:58, status changed: 2018-10-10 02:29:18

Project settings
Protein sequence(s) VQLVQSGAEVKKPGASVKVSCKASGYTFTSYAIHWVRQAPGQRLEWMGWIKAGNGNTRYSQKFQDRVTITRDTSTTTAYMELSSLRSEDTAVYYCALLTVLTPDDAFDIWGQGTMVTVSSDIVMTQSPDSLAVSLGERATINCKSSQSVLYSSNNKNYLAWYQQKPGQPPNLLIYWASTRQSGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCHQYYSSPLTFGGGTKVEIK input pdb
Peptide sequence NANPNANPNANPNANPNANP
Simulation mc cycles100
Peptide secondary structure psipred CCCCCCCCCCCCCCCCCCCC
Flexible regions
104:L - 95:L 109:H - 96:H
Unlikely to bind regions
61:H - 93:H 1:H - 23:H 106:L - 113:L 59:L - 93:L 41:L - 54:L
26:L - 28:L 1:L - 25: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) 26.8875 5.24407 20.1164 141
cluster_2.pdb ( medoid) 24.2677 5.48054 19.3745 133
cluster_3.pdb ( medoid) 19.4144 6.64455 17.7107 129
cluster_4.pdb ( medoid) 16.8342 4.27701 10.4302 72
cluster_5.pdb ( medoid) 16.8091 4.93779 16.2928 83
cluster_6.pdb ( medoid) 16.6774 4.49711 16.2085 75
cluster_7.pdb ( medoid) 10.5746 5.67399 15.8118 60
cluster_8.pdb ( medoid) 10.4534 9.27926 20.3502 97
cluster_9.pdb ( medoid) 7.81374 8.31868 18.8539 65
cluster_10.pdb ( medoid) 3.96171 11.3587 18.3472 45

 
Laboratory of Theory of Biopolymers 2015