CABS-dock: K22222

Project name: K22222

Status: done

submitted: 2026-07-01 13:38:23, status changed: 2026-07-01 22:57:06

Project settings

Protein sequence(s)	ATLKDQLIYNLLKEEQTPQNKITVVGVGAVGMACAISILMKDLADELALVDVIEDKLKGEMMDLQHGSLFLRTPKIVSGKDYNVTANSKLVIITAGARQQEGESRLNLVQRNVNIFKFIIPNVVKYSPNCKLLIVSNPVDILTYVAWKISGFPKNRVIGSGCNLDSARFRYLMGERLGVHPLSCHGWVLGEHGDSSVPVWSGMNVAGVSLKTLHPDLGTDKDKEQWKEVHKQVVESAYEVIKLKGYTSWAIGLSVADLAESIMKNLRRVHPVSTMIKGLYGIKDDVFLSVPCILGQNGISDLVKVTLTSEEEARLKKSADTLWGIQKELQF input pdb
Peptide sequence	QKATLLDKVKDLLPE
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCHHHHHHHHCCC

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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

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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)	25.2251	4.95538	19.0886	125
cluster_2.pdb ( medoid)	25.1661	4.60937	11.7301	116
cluster_3.pdb ( medoid)	19.037	6.98638	32.649	133
cluster_4.pdb ( medoid)	18.9608	4.00826	16.2774	76
cluster_5.pdb ( medoid)	17.4374	5.73481	30.7419	100
cluster_6.pdb ( medoid)	10.5735	14.1864	48.4041	150
cluster_7.pdb ( medoid)	10.1932	10.9878	35.0723	112
cluster_8.pdb ( medoid)	6.48894	13.5615	37.5399	88
cluster_9.pdb ( medoid)	3.06968	14.9853	50.5788	46
cluster_10.pdb ( medoid)	2.75881	19.5737	47.6877	54