CABS-dock: B-4J8S

Project name: B-4J8S

Status: done

submitted: 2026-01-12 17:43:40, status changed: 2026-01-12 20:35:31

Project settings

Protein sequence(s)	QQTDLSQVWPEANQHFSKEIDDEANSYFQRIYNHPPHHPTMSVDEVLEMLQRFKDSTIKREREVFNCMLRNLFEEYRFFPQYPDKELHITACLFGGIIEKGLVTYMALGLALRYVLEALRKPFGSKMYYFGIAALDRFKNRLKDYPQYCQHLASSISHFMQFPHHLQQEYIEYGQQSRDPPVK input pdb
Peptide sequence	KEAGTESRFKQWTSMMEGL
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCHHHHHHHHHHHHCC

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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)	36.5992	3.55199	17.3963	130
cluster_2.pdb ( medoid)	27.686	4.6594	19.2471	129
cluster_3.pdb ( medoid)	26.4144	3.55867	11.1311	94
cluster_4.pdb ( medoid)	24.5488	5.13263	20.5034	126
cluster_5.pdb ( medoid)	22.0676	7.4317	24.6236	164
cluster_6.pdb ( medoid)	14.4915	4.14035	19.4452	60
cluster_7.pdb ( medoid)	11.4662	8.89574	22.703	102
cluster_8.pdb ( medoid)	9.52928	8.81493	19.6952	84
cluster_9.pdb ( medoid)	8.14237	5.40383	13.1247	44
cluster_10.pdb ( medoid)	5.50812	12.1639	22.8656	67