CABS-dock: a4ccc1bb249733c

Project name: a4ccc1bb249733c

Status: done

submitted: 2025-12-31 16:01:23, status changed: 2026-01-01 04:44:42

Project settings

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

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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)	35.2738	3.17517	14.8652	112
cluster_2.pdb ( medoid)	26.686	5.54598	28.4947	148
cluster_3.pdb ( medoid)	18.7948	4.94819	18.0869	93
cluster_4.pdb ( medoid)	10.8595	7.9193	21.2723	86
cluster_5.pdb ( medoid)	9.29385	9.36103	21.0564	87
cluster_6.pdb ( medoid)	8.57139	7.58336	15.8452	65
cluster_7.pdb ( medoid)	7.37472	8.5427	21.6506	63
cluster_8.pdb ( medoid)	5.98676	6.84845	15.3182	41
cluster_9.pdb ( medoid)	4.72659	8.03963	16.9166	38
cluster_10.pdb ( medoid)	2.61145	11.4879	22.0816	30