CABS-dock: 2EXL

Project name: 2EXL

Status: done

submitted: 2025-02-04 18:22:05, status changed: 2025-02-05 05:39:01

Project settings

Protein sequence(s)	KSEKFAFQAEVNRMMKLIINSLYKNKEIFLRELISNASDALDKIRLISLTDENALAGNEELTVKIKCDKEKNLLHVTDTGVGMTREELVKNLGTIASTSELIGQFGVGFYSAFLVADKVIVTSKHNNDTQHIWESDSNEFSVIADPRGNTLGRGTTITLVLKEEASDYLELDTIKNLVKKYSQFINFPIYVWSSKTKTVWDWELMNSEKFAFQAEVNRMMKLIINSLYKNKEIFLRELISNASDALDKIRLISLTDENALAGNEELTVKIKCDKEKNLLHVTDTGVGMTREELVKNLGTISTSELIGQFGVGFYSAFLVADKVIVTSKHNNDTQHIWESDSNEFSVIADPRGNTLGRGTTITLVLKEEASDYLELDTIKNLVKKYSQFINFPIYVWSSKTKTVWDWELMN input pdb
Peptide sequence	ASDFDFAD
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)	45.7825	4.76164	26.0975	218
cluster_2.pdb ( medoid)	30.0188	3.83094	44.6192	115
cluster_3.pdb ( medoid)	27.0871	4.61474	10.9386	125
cluster_4.pdb ( medoid)	18.4642	4.06191	9.58904	75
cluster_5.pdb ( medoid)	15.0397	3.25804	9.14031	49
cluster_6.pdb ( medoid)	13.7503	7.70892	46.0408	106
cluster_7.pdb ( medoid)	13.229	1.43624	3.8696	19
cluster_8.pdb ( medoid)	11.0519	14.2057	43.4688	157
cluster_9.pdb ( medoid)	4.29055	20.5102	46.6592	88
cluster_10.pdb ( medoid)	4.23853	9.20129	30.7499	39