CABS-dock: 3f0a0bd3f79bb7

Project name: 3f0a0bd3f79bb7

Status: done

submitted: 2025-04-21 09:49:56, status changed: 2025-04-21 16:06:06

Project settings

Protein sequence(s)	QPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDSFFKWDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKGGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTK input pdb
Peptide sequence	RRLYGRALGQERSGL
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCHHHHCCCCCCC

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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)	38.8881	2.70005	14.7151	105
cluster_2.pdb ( medoid)	27.7669	2.70106	11.1314	75
cluster_3.pdb ( medoid)	20.5985	6.06842	18.1665	125
cluster_4.pdb ( medoid)	20.2063	2.12805	6.3508	43
cluster_5.pdb ( medoid)	15.3716	11.3846	28.0986	175
cluster_6.pdb ( medoid)	15.3617	6.7701	32.0961	104
cluster_7.pdb ( medoid)	12.0016	12.6649	43.7514	152
cluster_8.pdb ( medoid)	8.72777	16.6136	32.7857	145
cluster_9.pdb ( medoid)	5.44494	8.26455	24.3346	45
cluster_10.pdb ( medoid)	3.10934	9.96996	16.1982	31