CABS-dock: docking 2ai8 p1

Project name: docking 2ai8 p1

Status: done

submitted: 2025-12-23 01:58:38, status changed: 2025-12-23 06:04:31

Project settings

Protein sequence(s)	SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVIDVSENRDERLVLINPELLEKSGETGIEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLKA input pdb
Peptide sequence	NMAIHPR
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCC

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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

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)	28.8398	4.61168	24.1474	133
cluster_2.pdb ( medoid)	28.3546	3.87945	13.8658	110
cluster_3.pdb ( medoid)	26.576	6.73541	45.5635	179
cluster_4.pdb ( medoid)	19.6451	4.88671	18.2475	96
cluster_5.pdb ( medoid)	16.625	11.2481	39.3586	187
cluster_6.pdb ( medoid)	15.1926	3.29108	19.1022	50
cluster_7.pdb ( medoid)	9.11259	7.68168	24.6341	70
cluster_8.pdb ( medoid)	6.87044	11.353	35.9784	78
cluster_9.pdb ( medoid)	3.36706	14.5528	34.9988	49
cluster_10.pdb ( medoid)	3.0852	15.5581	40.0958	48