CABS-dock: 50b468ceb7adf6e

Project name: 50b468ceb7adf6e

Status: done

submitted: 2026-03-18 10:04:01, status changed: 2026-03-18 19:42:51

Project settings

Protein sequence(s)	MAQAPADPGREGHLEQRILQVLTEAGSPVKLAQLVKECQAPKRELNQVLYRMKKELKVSLTSPATWCLGGTDPEGEGPAELALSSPAERPQQHAATIPETPGPQFSQQREEDIYRFLKDNGPQRALVIAQALGMRTAKDVNRDLYRMKSRHLLDMDEQSKAWTIYRPEDSGRRAKSASIIYQHNPINMICQNGPNSWISIANSEAIQIGHGNIITRQTVSREDGSAGPRHLPSMAPGDSSTWGTLVDPWGPQDIHMEQSILRRVQLGHSNEMRLHGVPSEGPAHIPPGSPPVSATAAGPEASFEARIPSPGTHPEGEAAQRIHMKSCFLEDATIGNSNKMSISPGVAGPGGVAGSGEGEPGEDAGRRPADTQSRSHFPRDIGQPITPSHSKLTPKLETMTLGNRSHKAAEGSHYVDEASHEGSWWGGGI input pdb
Peptide sequence	RRRRVQLFGSNTYRR
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCEECCCCCCCCC

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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)	52.075	2.01632	30.9257	105
cluster_2.pdb ( medoid)	48.7409	2.0927	11.7125	102
cluster_3.pdb ( medoid)	25.7095	3.88962	8.01243	100
cluster_4.pdb ( medoid)	16.5727	3.25837	17.3726	54
cluster_5.pdb ( medoid)	10.2962	4.66192	25.7212	48
cluster_6.pdb ( medoid)	10.1255	11.5549	29.4742	117
cluster_7.pdb ( medoid)	7.78647	8.09096	29.5458	63
cluster_8.pdb ( medoid)	5.0539	7.71681	14.7169	39
cluster_9.pdb ( medoid)	2.67865	13.8129	29.7585	37
cluster_10.pdb ( medoid)	2.05207	17.056	31.5547	35