CABS-dock: N-TNA-6

Project name: N-TNA-6

Status: done

submitted: 2025-07-28 08:13:13, status changed: 2025-07-30 00:35:50

Project settings

Protein sequence(s)	ASQIRELREKSEKFAFQAEVNRMMKLIINSLYKNKEIFLRELISNASDALDKIRLISLTDENALAGNEELTVKIKCDKEKNLLHVTDTGVGMTREELVKNLGTIAKSGTSEFLNKMTEAGQSTSELIGQFGVGFYSAFLVADKVIVTSKHNNDTQHIWESDSNEFSVIADPRGNTLGRGTTITLVLKEEASDYLELDTIKNLVKKYSQFINFPIYVWSSKTGGASQIRELREKSEKFAFQAEVNRMMKLIINSLYKNKEIFLRELISNASDALDKIRLISLTDENALAGNEELTVKIKCDKEKNLLHVTDTGVGMTREELVKNLGTIAKSGTSEFLNKMTEAQDGQSTSELIGQFGVGFYSAFLVADKVIVTSKHNNDTQHIWESDSNEFSVIADPRGNTLGRGTTITLVLKEEASDYLELDTIKNLVKKYSQFINFPIYVWSSKT input pdb
Peptide sequence	KYVFINVCHRV
Simulation mc cycles	150
Peptide secondary structure psipred	CEEEEEEEECC

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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 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

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)	71.7867	2.75817	10.0124	198
cluster_2.pdb ( medoid)	47.648	3.63079	22.2611	173
cluster_3.pdb ( medoid)	44.3389	3.29282	41.3662	146
cluster_4.pdb ( medoid)	25.2	4.12698	30.5904	104
cluster_5.pdb ( medoid)	18.5897	4.03448	8.57362	75
cluster_6.pdb ( medoid)	16.3203	4.96314	14.5705	81
cluster_7.pdb ( medoid)	9.18679	9.47012	32.1036	87
cluster_8.pdb ( medoid)	3.65782	13.1226	51.2734	48
cluster_9.pdb ( medoid)	2.64957	15.4742	41.0897	41
cluster_10.pdb ( medoid)	2.49034	18.8729	48.7597	47