CABS-dock: KIR

Project name: KIR_JAK2

Status: done

submitted: 2026-04-30 19:04:25, status changed: 2026-05-01 05:55:25

Project settings

Protein sequence(s)	AHFEKRFLKRIRDLGEGHFGKVELCRYGDNTGEQVAVKSLKPHIADLKKEIEILRNLYHENIVKYKGICTEGIKLIMEFLPSGSLKEYLPKNKNKINLKQQLKYAVQICKGMDYLGSRQYVHRDLAARNVLVESEHQVKIGDFGLTKAIETDKEYYTVKDDRDSPVFWYAPECLMQSKFYIASDVWSFGVTLHELLTYCDSDSSPMALFLKMIGPTHGQMTVTRLVNTLKEGKRLPCPPNCPDEVYQLMRKCWEFQPSNRTSFQNLIEGFEALL input pdb
Peptide sequence	GDTHFRTFRSHADYRR
Simulation mc cycles	100
Peptide secondary structure psipred	CCCCCCCCCCCCCCCC

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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)	25.53	5.6796	28.9946	145
cluster_2.pdb ( medoid)	22.905	6.67976	23.0332	153
cluster_3.pdb ( medoid)	18.9381	4.3299	11.7768	82
cluster_4.pdb ( medoid)	16.2658	9.7751	28.3853	159
cluster_5.pdb ( medoid)	15.9162	6.34572	18.9569	101
cluster_6.pdb ( medoid)	6.66182	10.3575	24.796	69
cluster_7.pdb ( medoid)	6.66133	17.4139	43.1318	116
cluster_8.pdb ( medoid)	6.45673	11.1512	37.5736	72
cluster_9.pdb ( medoid)	3.56693	19.3444	42.1536	69
cluster_10.pdb ( medoid)	1.73052	19.6473	38.4404	34