CABS-dock: cf4a842711068f0

Project name: cf4a842711068f0

Status: done

submitted: 2025-04-22 12:13:25, status changed: 2025-04-22 18:20:15

Project settings

Protein sequence(s)	AESQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDSFFKWDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKGGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTKNG input pdb
Peptide sequence	ANTYGFKESRAEFAD
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCHHHHHHCC

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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

Download all files

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)	46.8716	4.30965	21.1164	202
cluster_2.pdb ( medoid)	27.3036	4.61478	21.3553	126
cluster_3.pdb ( medoid)	22.7858	5.047	19.0615	115
cluster_4.pdb ( medoid)	13.5065	7.32982	15.8024	99
cluster_5.pdb ( medoid)	13.2764	6.70363	15.911	89
cluster_6.pdb ( medoid)	12.8922	5.97262	12.7986	77
cluster_7.pdb ( medoid)	10.1887	8.73517	20.5428	89
cluster_8.pdb ( medoid)	10.0389	7.47091	16.7508	75
cluster_9.pdb ( medoid)	6.67737	7.63773	15.5642	51
cluster_10.pdb ( medoid)	6.1557	12.5087	25.0957	77