CABS-dock: 260628_LepB_3A

Project name: 260628_LepB_3A_2

Status: done

submitted: 2026-06-28 04:12:33, status changed: 2026-06-28 08:20:10

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

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)	32.3486	3.21498	25.0297	104
cluster_2.pdb ( medoid)	24.8085	6.53003	28.0935	162
cluster_3.pdb ( medoid)	21.9125	5.84142	41.6259	128
cluster_4.pdb ( medoid)	18.4496	5.69119	25.8734	105
cluster_5.pdb ( medoid)	13.5439	12.0349	50.2631	163
cluster_6.pdb ( medoid)	7.14669	12.0335	32.5248	86
cluster_7.pdb ( medoid)	5.99346	14.6827	34.231	88
cluster_8.pdb ( medoid)	5.83073	14.7495	41.2417	86
cluster_9.pdb ( medoid)	3.29282	10.6292	39.0042	35
cluster_10.pdb ( medoid)	2.90924	14.7805	37.8226	43