CABS-dock: LepB_3F

Project name: LepB_3F_Guide

Status: done

submitted: 2026-06-03 03:13:51, status changed: 2026-06-03 09:49:03

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 3Dmol (WebGL)

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)	30.7342	7.38591	40.156	227
cluster_2.pdb ( medoid)	15.6172	9.73287	42.7296	152
cluster_3.pdb ( medoid)	13.1545	10.4147	35.9289	137
cluster_4.pdb ( medoid)	10.5883	14.45	59.4369	153
cluster_5.pdb ( medoid)	10.4035	5.3828	26.5414	56
cluster_6.pdb ( medoid)	7.21982	6.92538	33.7431	50
cluster_7.pdb ( medoid)	6.36243	13.8312	53.9232	88
cluster_8.pdb ( medoid)	4.18684	16.4802	42.2053	69
cluster_9.pdb ( medoid)	3.9592	12.1237	31.0365	48
cluster_10.pdb ( medoid)	1.1937	16.7546	31.7275	20