CABS-dock: 5aa954c8bf463be

Project name: 5aa954c8bf463be

Status: done

submitted: 2025-06-22 21:59:40, status changed: 2025-06-23 06:59:22

Project settings

Protein sequence(s)	DIEADHVGTYGISVYQSPGDIGQYTFEFDGDELFYVDLDKKETVWMLPEFGQLASFDPQGGLQNIAVVKHNLGVLTKRSNSTPATNEAPQATVFPKSPVLLGQPNTLICFVDNIFPPVINITWLRNSKSVADGVYETSFFVNRDYSFHKLSYLTFIPSDDDIYDCKVEHWGLEEPVLKHWSSADLPVSKMRMATPLLMQASERHFVYQFMGECYFTNGTQRIRYVTRYIYNREEYVRYDSDVGEHRAVTELGRPDAEYWNSQPEILERTRAELDTVCRHNYEGPETHTSLRRLEQPNVVISLSHNTLVCSVTDFYPAKIKVRWFRNGQEETVGVSSTQLIRNGDWTFQVLVMLEMTPRRGEVYTCHVEHPSLKSPITVEWSSAE input pdb
Peptide sequence	SLACQCLVRTPEVDD
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCEEEEECCCCCC

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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)	82.6371	0.314629	3.64577	26
cluster_2.pdb ( medoid)	37.8791	2.90397	19.3558	110
cluster_3.pdb ( medoid)	34.9239	3.14971	18.7037	110
cluster_4.pdb ( medoid)	26.0754	3.83503	6.76569	100
cluster_5.pdb ( medoid)	25.7955	3.29515	18.1838	85
cluster_6.pdb ( medoid)	16.874	5.51143	20.654	93
cluster_7.pdb ( medoid)	16.5978	11.5678	29.4144	192
cluster_8.pdb ( medoid)	16.3994	6.09777	13.142	100
cluster_9.pdb ( medoid)	7.67987	7.29179	23.3538	56
cluster_10.pdb ( medoid)	2.68772	20.4634	47.9864	55