CABS-dock: 789cb96ebf30d30

Project name: 789cb96ebf30d30

Status: done

submitted: 2025-11-25 18:42:29, status changed: 2025-11-26 01:06:36

Project settings

Protein sequence(s)	CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTN input pdb
Peptide sequence	DAEFRHDSGYEVHHQKLVFFAEDVGSNKGA
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCEEEEEEEEEEEHHHCCCCCC

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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

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)	26.0007	4.15373	24.7064	108
cluster_2.pdb ( medoid)	14.7092	7.81822	42.2553	115
cluster_3.pdb ( medoid)	14.5175	8.33477	37.1698	121
cluster_4.pdb ( medoid)	14.3693	6.75049	32.4116	97
cluster_5.pdb ( medoid)	14.2132	9.92036	24.2381	141
cluster_6.pdb ( medoid)	11.5139	7.46921	29.7582	86
cluster_7.pdb ( medoid)	10.3582	7.9164	25.2965	82
cluster_8.pdb ( medoid)	8.11709	9.97895	19.3911	81
cluster_9.pdb ( medoid)	6.18205	15.6906	36.7041	97
cluster_10.pdb ( medoid)	5.00078	14.3977	27.7349	72