CABS-dock: 8a9l

Project name: 8a9l_k102s

Status: done

submitted: 2025-10-20 11:14:39, status changed: 2025-10-21 00:53:56

Project settings

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

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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)	44.9957	2.4669	22.5192	111
cluster_2.pdb ( medoid)	42.0646	2.42484	20.1821	102
cluster_3.pdb ( medoid)	35.2863	3.93921	11.2613	139
cluster_4.pdb ( medoid)	22.0304	5.40163	22.802	119
cluster_5.pdb ( medoid)	19.3876	3.92002	12.3846	76
cluster_6.pdb ( medoid)	18.2928	6.39594	33.3945	117
cluster_7.pdb ( medoid)	14.7678	5.41718	12.0045	80
cluster_8.pdb ( medoid)	12.147	5.18646	30.1724	63
cluster_9.pdb ( medoid)	11.179	9.66094	32.553	108
cluster_10.pdb ( medoid)	5.45938	15.5695	33.4177	85