Project name: 1dkx bound default A NRLLLTG ss: CCEECCC

Status: done

submitted: 2015-02-19 18:28:11, status changed: 2015-03-13 11:10:46

Project settings
Protein sequence(s) VLLLDVTPLSLGIETMGGVMTTLIAKNTTIPTKHSQVFSTAEDNQSAVTIHVLQGERKRAADNKSLGQFNLDGINPAPRGMPQIEVTFDIDADGILHVSAKDKNSGKEQKITIKASSGLNEDEIQKMVRDAEANAEADRKFDELVQTRNQGDHLLHSTRKQVEEAGDKLPADDKTAIESALTALETALKGEDKAAIEAKMQELAQVSQKLMEIAQQQHA input pdb
Peptide sequence NRLLLTG
Simulation mc cycles50
Peptide secondary structure CCEECCC
Flexible regions
Unlikely to bind regions
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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 3Dmol (WebGL)
Models are ranked and numbered according to their occurrence in docking trajectory (1 = most probable result).
Representative conformations
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Click the "View" button to load the contact map of appropriate model.
Representative conformations
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model_7 View
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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
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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) 39.8483 4.09052 15.5263 163
cluster_2.pdb ( medoid) 39.3278 3.61068 13.7234 142
cluster_3.pdb ( medoid) 27.8303 5.67727 27.7027 158
cluster_4.pdb ( medoid) 21.3202 5.39394 26.9099 115
cluster_5.pdb ( medoid) 21.0802 5.69254 13.8153 120
cluster_6.pdb ( medoid) 16.3569 5.99137 27.4119 98
cluster_7.pdb ( medoid) 13.1269 6.32287 18.2088 83
cluster_8.pdb ( medoid) 9.26173 4.64276 12.6987 43
cluster_9.pdb ( medoid) 6.79376 5.74056 12.1251 39
cluster_10.pdb ( medoid) 5.1466 7.57782 19.0948 39
Laboratory of Theory of Biopolymers 2015