CABS-dock: 7567e4bdecfe56b

Project name: 7567e4bdecfe56b

Status: done

submitted: 2025-11-25 03:05:34, status changed: 2025-11-25 16:49:17

Project settings

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

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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)	122.767	0.822696	13.6402	101
cluster_2.pdb ( medoid)	22.3014	4.88758	14.9568	109
cluster_3.pdb ( medoid)	21.4001	5.23361	22.8347	112
cluster_4.pdb ( medoid)	13.4162	5.44118	27.4256	73
cluster_5.pdb ( medoid)	13.0192	7.37374	17.9545	96
cluster_6.pdb ( medoid)	8.11331	7.76502	20.5061	63
cluster_7.pdb ( medoid)	7.06706	11.3201	36.4694	80
cluster_8.pdb ( medoid)	6.60342	11.2063	23.6161	74
cluster_9.pdb ( medoid)	6.54665	10.6925	25.1057	70
cluster_10.pdb ( medoid)	1.90773	12.0562	25.6168	23