CABS-dock: b503e27a2628679

Project name: b503e27a2628679

Status: done

submitted: 2023-06-01 22:30:40, status changed: 2023-06-02 06:20:33

Project settings

Protein sequence(s)	GEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEY input pdb
Peptide sequence	DAYRLKYTF
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCEECC

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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)	31.7971	8.83728	42.1389	281
cluster_2.pdb ( medoid)	22.3002	4.39457	12.0013	98
cluster_3.pdb ( medoid)	21.7087	2.11897	9.23951	46
cluster_4.pdb ( medoid)	17.9411	8.08201	33.0568	145
cluster_5.pdb ( medoid)	16.1679	8.53542	51.9095	138
cluster_6.pdb ( medoid)	7.84713	10.0674	34.0353	79
cluster_7.pdb ( medoid)	5.50099	10.3618	26.9005	57
cluster_8.pdb ( medoid)	4.20715	11.4091	31.1096	48
cluster_9.pdb ( medoid)	4.09009	14.1806	34.9119	58
cluster_10.pdb ( medoid)	3.51562	14.2222	37.5427	50