CABS-dock: 1xkk5

Project name: 1xkk5

Status: done

submitted: 2023-06-01 22:31:18, status changed: 2023-06-02 06:25:30

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

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)	37.0787	4.07242	19.4377	151
cluster_2.pdb ( medoid)	34.2186	3.33152	22.7098	114
cluster_3.pdb ( medoid)	20.234	8.64879	34.7567	175
cluster_4.pdb ( medoid)	19.7413	8.86467	26.2387	175
cluster_5.pdb ( medoid)	8.95786	12.6146	29.6497	113
cluster_6.pdb ( medoid)	7.7484	10.3247	28.7157	80
cluster_7.pdb ( medoid)	6.60448	6.66215	17.8019	44
cluster_8.pdb ( medoid)	5.58612	8.59273	21.7072	48
cluster_9.pdb ( medoid)	4.16155	12.2551	29.7405	51
cluster_10.pdb ( medoid)	3.80723	12.8702	31.4011	49