CABS-dock: 1xkk1

Project name: 1xkk1

Status: done

submitted: 2023-06-01 22:37:10, status changed: 2023-06-02 07:00:26

Project settings

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

Re-submit project

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)	24.7082	4.33054	23.4185	107
cluster_2.pdb ( medoid)	22.8287	4.59948	27.3439	105
cluster_3.pdb ( medoid)	17.1525	13.3508	41.3436	229
cluster_4.pdb ( medoid)	17.0835	3.16094	6.19539	54
cluster_5.pdb ( medoid)	16.8969	7.8121	18.2112	132
cluster_6.pdb ( medoid)	16.7203	8.67211	39.5735	145
cluster_7.pdb ( medoid)	14.768	7.92252	17.4925	117
cluster_8.pdb ( medoid)	6.52482	5.97718	23.3257	39
cluster_9.pdb ( medoid)	2.86046	19.9269	45.7957	57
cluster_10.pdb ( medoid)	1.14221	13.1324	21.743	15