CABS-dock: 1le3

Project name: 1le3

Status: done

submitted: 2025-12-12 13:50:03, status changed: 2025-12-12 17:26:33

Project settings

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

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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

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)	41.3363	2.46757	18.0872	102
cluster_2.pdb ( medoid)	27.6591	3.94083	31.0281	109
cluster_3.pdb ( medoid)	18.5285	6.85431	22.9177	127
cluster_4.pdb ( medoid)	14.649	6.75814	20.7677	99
cluster_5.pdb ( medoid)	11.3429	15.5163	35.8071	176
cluster_6.pdb ( medoid)	8.68668	12.2026	31.5357	106
cluster_7.pdb ( medoid)	7.42469	12.7951	27.5385	95
cluster_8.pdb ( medoid)	4.67276	14.9805	27.663	70
cluster_9.pdb ( medoid)	4.64087	14.006	29.4283	65
cluster_10.pdb ( medoid)	4.2381	12.0337	32.644	51