CABS-dock: VTEDKINAL

Project name: VTEDKINAL_ıl6

Status: done

submitted: 2025-03-09 19:24:01, status changed: 2025-03-09 22:56:39

Project settings

Protein sequence(s)	MNSFSTSAFGPVAFSLGLLLVLPAAFPAPVPPGEDSKDVAAPHRQPLTSSERIDKQIRYILDGISALRKETCNKSNMCESSKEALAENNLNLPKMAEKDGCFQSGFNEETCLVKIITGLLEFEVYLEYLQNRFESSEEQARAVQMSTKVLIQFLQKKAKNLDAITTPDPTTNASLLTKLQAQNQWLQDMTTHLILRSFKEFLQSSLRALRQM input pdb
Peptide sequence	VTEDKINAL
Simulation mc cycles	50
Peptide secondary structure psipred	CCHHHHHCC

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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

	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

Contact cutoff (Å)

	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 residue	Peptide residue

Receptor residue	Peptide residue

Receptor residue	Peptide 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 name	cluster density	average rmsd	max rmsd	number of elements
cluster_1.pdb ( medoid)	54.1443	1.99467	14.982	108
cluster_2.pdb ( medoid)	26.4019	8.93874	25.1599	236
cluster_3.pdb ( medoid)	16.5922	6.93096	22.7687	115
cluster_4.pdb ( medoid)	15.7551	4.06217	15.699	64
cluster_5.pdb ( medoid)	15.1762	6.85282	28.2249	104
cluster_6.pdb ( medoid)	11.4762	5.66392	15.8234	65
cluster_7.pdb ( medoid)	8.93605	10.2954	28.3417	92
cluster_8.pdb ( medoid)	7.22492	12.3185	34.0756	89
cluster_9.pdb ( medoid)	5.55244	11.7066	24.7322	65
cluster_10.pdb ( medoid)	4.4641	13.8886	44.2524	62