CABS-dock: 1le0

Project name: 1le0

Status: done

submitted: 2025-12-12 13:46:04, status changed: 2025-12-12 17:35:53

Project settings

Protein sequence(s)	SSPSEGLCPPGHHISEDGRDCISCKYGQDYSTHWNDLLFCLRCTRCDSGEVELSPCTTTRNTVCQCEEGTFREEDSPEMCRKCRTGCPRGMVKVGDCTPWSDIECVHK input pdb
Peptide sequence	SWTWEGNKWTWK
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCCC

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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)	23.4309	10.5416	30.7677	247
cluster_2.pdb ( medoid)	19.7714	4.95666	20.3009	98
cluster_3.pdb ( medoid)	18.1906	4.28792	23.6368	78
cluster_4.pdb ( medoid)	17.5731	3.98337	14.5442	70
cluster_5.pdb ( medoid)	15.0641	8.49702	27.0353	128
cluster_6.pdb ( medoid)	8.23303	12.2677	32.8192	101
cluster_7.pdb ( medoid)	7.31558	9.56862	24.3666	70
cluster_8.pdb ( medoid)	6.82948	11.2747	33.0788	77
cluster_9.pdb ( medoid)	5.31874	15.9812	36.4096	85
cluster_10.pdb ( medoid)	3.43859	13.3776	25.6319	46