CABS-dock: 8a9l

Project name: 8a9l_t05

Status: done

submitted: 2025-10-20 11:15:30, status changed: 2025-10-21 00:09:26

Project settings

Protein sequence(s)	GKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQL input pdb
Peptide sequence	LNIRVFLVWGCLRGSAYFL
Simulation mc cycles	50
Peptide secondary structure psipred	CCEEEEEEEHHHCCCEECC

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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

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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)	20.8411	5.32602	24.3573	111
cluster_2.pdb ( medoid)	17.4083	9.53568	44.8313	166
cluster_3.pdb ( medoid)	14.6467	8.87571	39.8533	130
cluster_4.pdb ( medoid)	12.6198	10.3013	42.1029	130
cluster_5.pdb ( medoid)	12.3531	9.6332	29.9425	119
cluster_6.pdb ( medoid)	11.7394	7.49611	26.4876	88
cluster_7.pdb ( medoid)	7.16636	7.67475	19.4442	55
cluster_8.pdb ( medoid)	7.11189	11.8112	34.0725	84
cluster_9.pdb ( medoid)	4.33072	13.1618	35.3439	57
cluster_10.pdb ( medoid)	4.2209	14.215	28.7348	60