CABS-dock: 8a9l_helix1asyn

Project name: 8a9l_helix1asyn

Status: done

submitted: 2025-10-20 11:49:54, status changed: 2025-10-21 02:43:54

Project settings

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

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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)	25.2453	4.8722	24.4687	123
cluster_2.pdb ( medoid)	19.4764	6.82878	21.6354	133
cluster_3.pdb ( medoid)	19.3991	7.21683	46.2012	140
cluster_4.pdb ( medoid)	16.328	9.30918	17.9033	152
cluster_5.pdb ( medoid)	15.8996	8.36501	19.8118	133
cluster_6.pdb ( medoid)	13.9446	5.45016	17.2833	76
cluster_7.pdb ( medoid)	13.1978	7.57702	14.7648	100
cluster_8.pdb ( medoid)	10.849	6.54437	18.0578	71
cluster_9.pdb ( medoid)	4.64954	6.66732	11.5891	31
cluster_10.pdb ( medoid)	3.67602	11.1534	18.7735	41