CABS-dock: A-4j8s

Project name: A-4j8s

Status: done

submitted: 2026-01-12 17:43:57, status changed: 2026-01-12 20:34:36

Project settings

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

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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)	55.3721	4.6052	13.2672	255
cluster_2.pdb ( medoid)	19.1607	5.47997	22.1948	105
cluster_3.pdb ( medoid)	17.2172	9.99002	31.7452	172
cluster_4.pdb ( medoid)	14.4849	6.21338	21.2706	90
cluster_5.pdb ( medoid)	8.51667	8.68884	22.1432	74
cluster_6.pdb ( medoid)	7.83092	8.68353	25.9006	68
cluster_7.pdb ( medoid)	5.75702	12.6802	33.2575	73
cluster_8.pdb ( medoid)	4.95797	14.9255	30.5039	74
cluster_9.pdb ( medoid)	4.77736	15.9084	36.6297	76
cluster_10.pdb ( medoid)	1.58927	8.17986	14.8175	13