CABS-dock: 260628_LepB_3Y

Project name: 260628_LepB_3Y_2

Status: done

submitted: 2026-06-28 04:13:34, status changed: 2026-06-28 08:22:59

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)	57.5165	1.75602	9.99886	101
cluster_2.pdb ( medoid)	42.7023	2.15445	4.80684	92
cluster_3.pdb ( medoid)	25.826	5.14985	20.9118	133
cluster_4.pdb ( medoid)	22.3305	4.47817	12.1358	100
cluster_5.pdb ( medoid)	22.3245	7.57014	21.6983	169
cluster_6.pdb ( medoid)	17.6949	6.49903	17.0637	115
cluster_7.pdb ( medoid)	14.8545	7.87639	23.8582	117
cluster_8.pdb ( medoid)	9.36137	6.62296	16.0099	62
cluster_9.pdb ( medoid)	7.07997	8.89834	19.2498	63
cluster_10.pdb ( medoid)	3.4839	13.7777	31.2933	48