CABS-dock: LepB_3A

Project name: LepB_3A_2

Status: done

submitted: 2026-06-03 03:07:09, status changed: 2026-06-03 09:42:22

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)	64.7205	1.60691	27.4263	104
cluster_2.pdb ( medoid)	36.1221	2.85144	19.8244	103
cluster_3.pdb ( medoid)	28.989	2.5182	10.3042	73
cluster_4.pdb ( medoid)	18.5261	16.4632	45.1009	305
cluster_5.pdb ( medoid)	17.8108	5.67072	23.6635	101
cluster_6.pdb ( medoid)	7.42765	10.232	32.9834	76
cluster_7.pdb ( medoid)	7.24326	9.11192	28.8706	66
cluster_8.pdb ( medoid)	6.20435	5.31885	17.0342	33
cluster_9.pdb ( medoid)	5.47786	14.6042	37.4363	80
cluster_10.pdb ( medoid)	5.16034	11.4333	39.1816	59