CABS-dock: 12ba9ee17fefdc7

Project name: 12ba9ee17fefdc7

Status: done

submitted: 2026-01-22 13:20:56, status changed: 2026-01-22 17:31:12

Project settings

Protein sequence(s)	EASRQQQRRFNTSSIRDFEFWLSEAETLLAMKDQQARDLASSAGNLLKKHQLLERREMLAREDALKDLNTLAEDDLLSSSGTTFNVDQIVKKKDNNVNKRFLNVQELAAAHHEKLKEAYALFQFFQDLDDEESWIEEKLIRVSSQDYGRDLQGVQNLLKKHKRLEGELVAHEEPAIQNVLDMAEKLKDKAAVGQEEIQLRLAQFVEHWEEKLKELAKARGLKLEESLEYLQFMQ input pdb
Peptide sequence	MATPSPTTTSVPEDEKVEES
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCCCCHHHHCCC

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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 3Dmol (WebGL)

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)	18.4412	7.91705	37.1617	146
cluster_2.pdb ( medoid)	15.744	7.68548	28.0786	121
cluster_3.pdb ( medoid)	14.2649	2.52368	6.12493	36
cluster_4.pdb ( medoid)	11.3806	12.1259	41.9885	138
cluster_5.pdb ( medoid)	9.10372	14.0602	36.931	128
cluster_6.pdb ( medoid)	8.48989	10.0119	30.3123	85
cluster_7.pdb ( medoid)	6.23997	13.1411	34.0482	82
cluster_8.pdb ( medoid)	4.94552	9.09914	30.4752	45
cluster_9.pdb ( medoid)	4.58685	11.5548	27.1538	53
cluster_10.pdb ( medoid)	4.53972	14.5383	33.1097	66