CABS-dock: 2EXL-P08670-1

Project name: 2EXL-P08670-1

Status: done

submitted: 2025-02-05 01:12:10, status changed: 2025-02-05 12:58:36

Project settings

Protein sequence(s)	KSEKFAFQAEVNRMMKLIINSLYKNKEIFLRELISNASDALDKIRLISLTDENALAGNEELTVKIKCDKEKNLLHVTDTGVGMTREELVKNLGTIASTSELIGQFGVGFYSAFLVADKVIVTSKHNNDTQHIWESDSNEFSVIADPRGNTLGRGTTITLVLKEEASDYLELDTIKNLVKKYSQFINFPIYVWSSKTKTVWDWELMNSEKFAFQAEVNRMMKLIINSLYKNKEIFLRELISNASDALDKIRLISLTDENALAGNEELTVKIKCDKEKNLLHVTDTGVGMTREELVKNLGTISTSELIGQFGVGFYSAFLVADKVIVTSKHNNDTQHIWESDSNEFSVIADPRGNTLGRGTTITLVLKEEASDYLELDTIKNLVKKYSQFINFPIYVWSSKTKTVWDWELMN input pdb
Peptide sequence	VPGVRLLQ
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCC

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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

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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)	51.3524	2.0447	21.9668	105
cluster_2.pdb ( medoid)	48.9878	4.81753	25.0131	236
cluster_3.pdb ( medoid)	26.1858	8.47787	29.5046	222
cluster_4.pdb ( medoid)	20.9209	6.64407	17.0438	139
cluster_5.pdb ( medoid)	20.6937	2.65781	24.4218	55
cluster_6.pdb ( medoid)	14.3437	3.20699	6.92908	46
cluster_7.pdb ( medoid)	12.5756	10.5761	36.6788	133
cluster_8.pdb ( medoid)	5.92179	6.92358	17.5488	41
cluster_9.pdb ( medoid)	0.951851	14.7082	26.9393	14
cluster_10.pdb ( medoid)	0.51907	17.3387	31.8378	9