CABS-dock: TVTEDKINAL

Project name: TVTEDKINAL_ıl12

Status: done

submitted: 2025-03-09 19:17:10, status changed: 2025-03-09 20:16:55

Project settings

Protein sequence(s)	SLVFLASPLVAIWELKKDVYVVELDWYPDAPGEMVVLTCDTPEEDGITWTLDQSSEVLGSGKTLTIQ input pdb
Peptide sequence	TVTEDKINAL
Simulation mc cycles	50
Peptide secondary structure psipred	CCCHHHHHCC

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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

Download all files

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)	34.7811	4.11143	11.9118	143
cluster_2.pdb ( medoid)	32.8516	4.26159	13.4136	140
cluster_3.pdb ( medoid)	26.1808	6.49332	26.1894	170
cluster_4.pdb ( medoid)	17.4649	3.6645	7.48413	64
cluster_5.pdb ( medoid)	13.0752	9.10118	29.9529	119
cluster_6.pdb ( medoid)	12.9926	9.69785	27.8885	126
cluster_7.pdb ( medoid)	11.9318	5.44762	20.8215	65
cluster_8.pdb ( medoid)	10.6043	5.94101	13.6902	63
cluster_9.pdb ( medoid)	6.59559	12.5842	33.1275	83
cluster_10.pdb ( medoid)	1.846	14.6262	33.0499	27