CABS-dock: 1le1

Project name: 1le1

Status: done

submitted: 2025-12-12 13:47:56, status changed: 2025-12-12 17:37:43

Project settings

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

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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)	41.1587	7.55612	25.1824	311
cluster_2.pdb ( medoid)	33.3538	3.26799	18.5778	109
cluster_3.pdb ( medoid)	15.4175	6.48613	26.5518	100
cluster_4.pdb ( medoid)	11.9855	6.341	19.2769	76
cluster_5.pdb ( medoid)	9.54503	8.80039	25.7729	84
cluster_6.pdb ( medoid)	8.88669	12.4906	21.6304	111
cluster_7.pdb ( medoid)	7.66169	10.9636	27.9485	84
cluster_8.pdb ( medoid)	7.16102	6.00473	20.4461	43
cluster_9.pdb ( medoid)	7.0063	8.13554	16.5045	57
cluster_10.pdb ( medoid)	2.74897	9.09432	21.109	25