CABS-dock: 2EXL-P08670-3

Project name: 2EXL-P08670-3

Status: done

submitted: 2025-02-05 01:14:28, status changed: 2025-02-05 13:30:10

Project settings

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

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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)	46.9172	1.8117	3.76931	85
cluster_2.pdb ( medoid)	31.3703	3.88903	36.1492	122
cluster_3.pdb ( medoid)	14.7296	7.19641	48.473	106
cluster_4.pdb ( medoid)	13.8704	8.36312	42.1184	116
cluster_5.pdb ( medoid)	13.2899	11.2115	28.528	149
cluster_6.pdb ( medoid)	11.6022	12.9286	45.3013	150
cluster_7.pdb ( medoid)	10.0081	10.8912	43.6549	109
cluster_8.pdb ( medoid)	4.12663	1.93863	3.36643	8
cluster_9.pdb ( medoid)	2.11818	25.9657	51.4501	55
cluster_10.pdb ( medoid)	0.949342	27.3874	49.2736	26