CABS-dock: 68f976ae648ebf7

Project name: 68f976ae648ebf7

Status: done

submitted: 2025-12-29 11:01:59, status changed: 2025-12-29 14:37:54

Project settings

Protein sequence(s)	MVLSSDPPGPAAYRISDSSFVQCGSNCSMIIDGDVARGHLRDLEGATRRVIVFVQCGSNCRMVLSSDPPGPAAYRISDSSFVQCGSNCSMIIDGDVARGHLRDLEGAT input pdb
Peptide sequence	LPPTDESIKYTIYNSTGIQIGAYNYMEIGG
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCEEEECCCCEEECCCCEECCCC

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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)	38.1783	2.88122	25.325	110
cluster_2.pdb ( medoid)	27.2823	3.812	18.246	104
cluster_3.pdb ( medoid)	26.1024	4.06093	12.8699	106
cluster_4.pdb ( medoid)	18.6011	6.02116	30.0545	112
cluster_5.pdb ( medoid)	12.2588	9.70731	27.9818	119
cluster_6.pdb ( medoid)	11.2153	11.6805	30.7007	131
cluster_7.pdb ( medoid)	9.32078	12.0162	25.1755	112
cluster_8.pdb ( medoid)	6.35531	15.8922	31.3498	101
cluster_9.pdb ( medoid)	5.70589	14.3711	28.8347	82
cluster_10.pdb ( medoid)	1.42442	16.1469	28.8748	23