CABS-dock: 260628_LepB_3A

Project name: 260628_LepB_3A_1

Status: done

submitted: 2026-06-28 04:10:41, status changed: 2026-06-28 08:15:57

Project settings

Protein sequence(s)	RSFIYEPFQIPSGSMMPTLLIGDFILVEKFAYGIKDPIYQKTLIETGHPKRGDIVVFKYPEDPKLDYIKRAVGLPGDKVTYDPVSKELTIQPGCSSGQACENALPVTYSNVEPSDFVQTFSRRNGGEATSGFFEVPKNETKENGIRLSERKETLGDVTHRILTVPIAQDQVGMYYQQPGQQLATWIVPPGQYFMMGDNRDNSADSRYWGFVPEANLVGRATAIWMSFDGLRLSRIGGIH input pdb
Peptide sequence	MLSFAADAAA
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)	32.2557	4.58834	40.946	148
cluster_2.pdb ( medoid)	27.8427	3.87893	13.7241	108
cluster_3.pdb ( medoid)	16.183	9.08358	40.9978	147
cluster_4.pdb ( medoid)	12.3243	14.1185	52.1847	174
cluster_5.pdb ( medoid)	8.71953	14.3356	35.1984	125
cluster_6.pdb ( medoid)	6.7118	11.0254	33.3118	74
cluster_7.pdb ( medoid)	4.96431	15.9136	38.1435	79
cluster_8.pdb ( medoid)	4.7027	10.4195	33.4624	49
cluster_9.pdb ( medoid)	4.29166	13.9806	36.7452	60
cluster_10.pdb ( medoid)	2.33243	15.4346	38.3945	36