CABS-dock: K33333

Project name: K33333

Status: done

submitted: 2026-07-01 13:40:41, status changed: 2026-07-01 22:55:19

Project settings

Protein sequence(s)	ATLKDQLIYNLLKEEQTPQNKITVVGVGAVGMACAISILMKDLADELALVDVIEDKLKGEMMDLQHGSLFLRTPKIVSGKDYNVTANSKLVIITAGARQQEGESRLNLVQRNVNIFKFIIPNVVKYSPNCKLLIVSNPVDILTYVAWKISGFPKNRVIGSGCNLDSARFRYLMGERLGVHPLSCHGWVLGEHGDSSVPVWSGMNVAGVSLKTLHPDLGTDKDKEQWKEVHKQVVESAYEVIKLKGYTSWAIGLSVADLAESIMKNLRRVHPVSTMIKGLYGIKDDVFLSVPCILGQNGISDLVKVTLTSEEEARLKKSADTLWGIQKELQF input pdb
Peptide sequence	QKATLVDKIKDILPG
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 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)	53.6816	1.90009	15.1991	102
cluster_2.pdb ( medoid)	31.2857	5.30594	19.2238	166
cluster_3.pdb ( medoid)	26.3051	4.14368	27.9269	109
cluster_4.pdb ( medoid)	22.2224	5.26496	11.7641	117
cluster_5.pdb ( medoid)	18.2312	7.84372	18.775	143
cluster_6.pdb ( medoid)	17.9579	5.67994	23.8851	102
cluster_7.pdb ( medoid)	14.4187	5.54836	15.9796	80
cluster_8.pdb ( medoid)	12.828	7.71751	30.0532	99
cluster_9.pdb ( medoid)	11.7621	5.78126	23.0846	68
cluster_10.pdb ( medoid)	2.56945	5.44864	11.6677	14