CABS-dock: ce50b947f77e0c6

Project name: ce50b947f77e0c6

Status: done

submitted: 2025-11-12 13:26:52, status changed: 2025-11-13 03:55:14

Project settings

Protein sequence(s)	MATIKTIHAREILDSRGNPTVEVDLTTVDGQFRAACPSGASTGIYEALELRDGDKKRFLGKGVLKAVANVNQTIAEGVVNFDCLQQQALDDHMVKKLDGTVNEWGFCKSKLGANAILVVSMAAARAAAAHKKIPLYQHLAELAGKPTDKYVLPVPCLNVINGGSHAGNSLAMQEFMILPVGAPTFKDAIRMGCEVYHNLKKVINTKYGQDATNVGDEGGFAPNIKSAEEALDLLVESIQKAGFEGQVKIAMDVAASEFYVKESKSYNLGFKCEKPNMKTGAEMVAYYKELCSKYPIVSIEDPFDQDDWESYEMLTKEIGSAVQIVGDDLLVTNPKRIQTALDKKACNALLLKVNQIGSVTEATDACVLSHKNHWGVMVSHRSGETEDTFIADLVVGLRTGQIKTGAPCRSERNAKYNQLIRIEEELGDRASYAGASFRTCGQ input pdb
Peptide sequence	QIKTGAPCRSERNAK
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCCCCCC

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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)	35.2733	2.86336	23.0616	101
cluster_2.pdb ( medoid)	31.6773	5.33505	24.248	169
cluster_3.pdb ( medoid)	22.2384	5.486	23.3851	122
cluster_4.pdb ( medoid)	20.0152	6.54503	20.8841	131
cluster_5.pdb ( medoid)	18.1094	5.68766	36.4253	103
cluster_6.pdb ( medoid)	9.86516	8.92028	22.2087	88
cluster_7.pdb ( medoid)	9.04366	9.28828	29.0987	84
cluster_8.pdb ( medoid)	6.28518	13.8421	31.5706	87
cluster_9.pdb ( medoid)	5.72775	10.3007	24.6277	59
cluster_10.pdb ( medoid)	4.88793	11.4568	26.1952	56