CABS-dock: docking 2ai8 p5

Project name: docking 2ai8 p5

Status: done

submitted: 2025-12-23 02:02:15, status changed: 2025-12-23 06:44:21

Project settings

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

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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)	28.3075	4.27448	22.6071	121
cluster_2.pdb ( medoid)	18.1595	8.86589	34.3884	161
cluster_3.pdb ( medoid)	14.5627	10.0943	35.6611	147
cluster_4.pdb ( medoid)	13.1895	11.2969	29.0264	149
cluster_5.pdb ( medoid)	9.85751	7.60841	19.7751	75
cluster_6.pdb ( medoid)	8.77477	7.29363	22.9314	64
cluster_7.pdb ( medoid)	7.50175	14.9298	35.2183	112
cluster_8.pdb ( medoid)	5.29658	11.5169	31.1228	61
cluster_9.pdb ( medoid)	4.62811	12.1	28.667	56
cluster_10.pdb ( medoid)	3.23831	16.6754	36.4008	54