CABS-dock: 1a5024bdf9f0851

Project name: 1a5024bdf9f0851

Status: done

submitted: 2025-04-22 12:12:02, status changed: 2025-04-23 08:10:41

Project settings

Protein sequence(s)	EEHVIIQAEFYLNPDQSGEFMFDFDGDEIFHVDMAKKETVWRLEEFGRFASFEAQGALANIAVDKANLEIMTKRSNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWEFDPKWWWWWWWWWWWVKQNTLKLATGDTRPRFLWQLKFECHFFNGTERVRLLERCIYNQEESVRFDSDVGEYRAVTELGRPDAEYWNSQKDLLEQRRAAVDTYCRHNYGVGESFTVQRRVEPKVTVYPSKTQPLQHHNLLVCSVSGFYPGSIEVRWFRNGQEEKAGVVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRAESQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDSFFKWDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKGGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTKNG input pdb
Peptide sequence	SVGEGGAAAENAGIN
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCHHHHHHHCCCC

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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)	28.9723	4.55607	20.3317	132
cluster_2.pdb ( medoid)	18.1453	5.1253	28.6249	93
cluster_3.pdb ( medoid)	14.531	6.40009	28.828	93
cluster_4.pdb ( medoid)	14.3276	9.14321	46.1618	131
cluster_5.pdb ( medoid)	12.0555	16.9218	57.0917	204
cluster_6.pdb ( medoid)	10.9052	8.98654	33.2756	98
cluster_7.pdb ( medoid)	8.24761	11.5185	42.5583	95
cluster_8.pdb ( medoid)	4.55914	19.3019	47.3488	88
cluster_9.pdb ( medoid)	1.83729	23.404	43.912	43
cluster_10.pdb ( medoid)	1.60263	14.3514	32.0877	23