CABS-dock: docking 2ai8 p2

Project name: docking 2ai8 p2

Status: done

submitted: 2025-12-23 01:59:21, status changed: 2025-12-23 06:13:03

Project settings

Protein sequence(s)	SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVIDVSENRDERLVLINPELLEKSGETGIEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLKA input pdb
Peptide sequence	VLPVPQK
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)	51.3313	1.30525	7.40938	67
cluster_2.pdb ( medoid)	49.2942	3.40811	18.9677	168
cluster_3.pdb ( medoid)	38.5534	2.82725	7.68427	109
cluster_4.pdb ( medoid)	30.0298	2.26442	12.1391	68
cluster_5.pdb ( medoid)	21.0566	7.36111	29.7092	155
cluster_6.pdb ( medoid)	13.828	9.40121	43.175	130
cluster_7.pdb ( medoid)	13.0868	8.09979	36.4645	106
cluster_8.pdb ( medoid)	11.9862	11.6801	31.7879	140
cluster_9.pdb ( medoid)	3.8242	12.0287	39.6373	46
cluster_10.pdb ( medoid)	1.06617	10.3173	18.7858	11