CABS-dock: 1539

Project name: 1539

Status: done

submitted: 2026-04-20 16:41:17, status changed: 2026-04-20 23:32:36

Project settings

Protein sequence(s)	MKTISVVTLLCVLPAVVYSTCTVPTMNNAKLTSTETSFNDKQKVTFTCDSGYHSLDPNAVCETDKWKYENPCKKMCTVSDYVSELYDKPLYEVNSTMTLSCNGETKYFRCEEKNGNTSWNDTVTCPNAECQPLQLEHGSCQPVKEKYSFGEYMTINCDVGYEVIGVSYISCTANSWNVIPSCQQKCDIPSLSNGLISGSTFSIGGVIHLSCKSGFTLTGSPSSTCIDGKWNPILPTCVRSNEEFDPVDDGPDDETDLSKLSKDVVQYEQEIESLEATYHIIIMALTIMGVIFLISIIVLVCSCDKNNDQYKFHKLLP input pdb
Peptide sequence	KKRKRRFLGFLLAVNSA
Simulation mc cycles	50
Peptide secondary structure psipred	CCCHHHHHHHHHHHCCC

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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

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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)	23.8163	4.87061	22.5931	116
cluster_2.pdb ( medoid)	23.1409	4.49421	39.1064	104
cluster_3.pdb ( medoid)	16.6842	8.39118	43.3483	140
cluster_4.pdb ( medoid)	13.4899	7.56119	22.2187	102
cluster_5.pdb ( medoid)	9.35871	9.93727	22.3998	93
cluster_6.pdb ( medoid)	8.18439	10.5078	22.2164	86
cluster_7.pdb ( medoid)	6.62823	13.5783	27.4534	90
cluster_8.pdb ( medoid)	6.54722	6.41493	17.1635	42
cluster_9.pdb ( medoid)	6.46169	10.3688	29.5846	67
cluster_10.pdb ( medoid)	3.57057	17.9243	41.8635	64