CABS-dock: 260628_LepB_3Y

Project name: 260628_LepB_3Y_3

Status: done

submitted: 2026-06-28 04:14:35, status changed: 2026-06-28 08:23:54

Project settings

Protein sequence(s)	RSFIYEPFQIPSGSMMPTLLIGDFILVEKFAYGIKDPIYQKTLIETGHPKRGDIVVFKYPEDPKLDYIKRAVGLPGDKVTYDPVSKELTIQPGCSSGQACENALPVTYSNVEPSDFVQTFSRRNGGEATSGFFEVPKNETKENGIRLSERKETLGDVTHRILTVPIAQDQVGMYYQQPGQQLATWIVPPGQYFMMGDNRDNSADSRYWGFVPEANLVGRATAIWMSFDGLRLSRIGGIH input pdb
Peptide sequence	MLSFAADYYY
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCC

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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)	30.1738	3.18157	9.6847	96
cluster_2.pdb ( medoid)	19.2076	5.83103	29.9371	112
cluster_3.pdb ( medoid)	19.0426	4.98882	31.4177	95
cluster_4.pdb ( medoid)	16.2074	11.3529	31.1156	184
cluster_5.pdb ( medoid)	15.2553	4.98187	13.3996	76
cluster_6.pdb ( medoid)	14.2922	9.44573	38.0887	135
cluster_7.pdb ( medoid)	9.90718	11.8096	44.1794	117
cluster_8.pdb ( medoid)	7.3486	6.25969	14.2756	46
cluster_9.pdb ( medoid)	4.98847	15.636	36.9447	78
cluster_10.pdb ( medoid)	4.59588	13.2728	32.4879	61