CABS-dock: LepB_3A

Project name: LepB_3A_3

Status: done

submitted: 2026-06-03 03:08:01, status changed: 2026-06-03 09:48:59

Project settings

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

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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

Download all files

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)	20.6732	6.72369	20.3388	139
cluster_2.pdb ( medoid)	18.6242	7.73188	27.3346	144
cluster_3.pdb ( medoid)	18.6222	4.83295	13.1483	90
cluster_4.pdb ( medoid)	13.6016	12.8662	39.9301	175
cluster_5.pdb ( medoid)	12.3731	7.43547	27.509	92
cluster_6.pdb ( medoid)	10.7692	8.6357	35.0935	93
cluster_7.pdb ( medoid)	9.10733	11.3096	28.3498	103
cluster_8.pdb ( medoid)	7.28211	10.5739	37.5799	77
cluster_9.pdb ( medoid)	3.33497	15.2925	39.1259	51
cluster_10.pdb ( medoid)	2.53354	14.2094	37.5089	36