CABS-dock: 1xkk2

Project name: 1xkk2

Status: done

submitted: 2023-06-01 22:35:39, status changed: 2023-06-02 06:25:08

Project settings

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

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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)	19.1477	6.31929	33.5922	121
cluster_2.pdb ( medoid)	16.0228	8.36306	35.1008	134
cluster_3.pdb ( medoid)	15.3039	9.80142	44.5821	150
cluster_4.pdb ( medoid)	11.8087	12.1944	34.4401	144
cluster_5.pdb ( medoid)	9.03916	12.1693	30.025	110
cluster_6.pdb ( medoid)	8.19367	13.0589	30.8647	107
cluster_7.pdb ( medoid)	7.01054	9.41439	23.3999	66
cluster_8.pdb ( medoid)	4.35571	18.3667	37.7321	80
cluster_9.pdb ( medoid)	3.52352	13.3389	35.6861	47
cluster_10.pdb ( medoid)	2.63493	15.5602	37.8639	41