CABS-dock: docking 2ai8 p4

Project name: docking 2ai8 p4

Status: done

submitted: 2025-12-23 02:01:21, status changed: 2025-12-23 06:19:35

Project settings

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

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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)	28.1529	4.9018	30.8884	138
cluster_2.pdb ( medoid)	24.0863	6.1861	26.4118	149
cluster_3.pdb ( medoid)	23.3502	5.86719	19.909	137
cluster_4.pdb ( medoid)	14.87	4.77472	14.6812	71
cluster_5.pdb ( medoid)	14.0622	7.9646	41.4102	112
cluster_6.pdb ( medoid)	8.98202	10.688	34.9657	96
cluster_7.pdb ( medoid)	8.4971	14.2401	31.0474	121
cluster_8.pdb ( medoid)	7.13278	12.057	29.3147	86
cluster_9.pdb ( medoid)	5.03883	11.5106	32.5961	58
cluster_10.pdb ( medoid)	2.75963	11.5958	35.4143	32