CABS-dock: LepB_3F

Project name: LepB_3F_2

Status: done

submitted: 2026-06-03 03:09:36, status changed: 2026-06-03 09:48:54

Project settings

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

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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)	40.0241	5.9714	20.1095	239
cluster_2.pdb ( medoid)	22.9571	5.2707	32.2441	121
cluster_3.pdb ( medoid)	22.5449	5.5445	25.9524	125
cluster_4.pdb ( medoid)	15.7881	7.85404	34.9312	124
cluster_5.pdb ( medoid)	12.7137	11.4836	42.9274	146
cluster_6.pdb ( medoid)	10.0894	5.55036	18.5862	56
cluster_7.pdb ( medoid)	7.83092	10.4713	35.109	82
cluster_8.pdb ( medoid)	4.72083	12.0742	42.7268	57
cluster_9.pdb ( medoid)	3.4499	10.4351	24.7631	36
cluster_10.pdb ( medoid)	0.810902	17.2647	31.668	14