CABS-dock: d4b8410029a90d6

Project name: d4b8410029a90d6

Status: done

submitted: 2025-12-18 04:08:45, status changed: 2025-12-18 17:35:48

Project settings

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

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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)	34.5233	5.82215	15.2767	201
cluster_2.pdb ( medoid)	33.7291	2.52008	12.2829	85
cluster_3.pdb ( medoid)	21.6161	5.22759	31.8606	113
cluster_4.pdb ( medoid)	11.6555	8.66547	26.1104	101
cluster_5.pdb ( medoid)	11.4914	11.7479	33.3194	135
cluster_6.pdb ( medoid)	10.7593	6.41306	12.1062	69
cluster_7.pdb ( medoid)	5.46717	5.67021	11.6375	31
cluster_8.pdb ( medoid)	2.71165	14.0136	25.6815	38
cluster_9.pdb ( medoid)	1.7251	9.27484	22.9332	16
cluster_10.pdb ( medoid)	1.2349	8.90761	14.7769	11