CABS-dock: 8TBP_AIYYKA

Project name: 8TBP_AIYYKA_E2

Status: done

submitted: 2026-05-30 16:15:12, status changed: 2026-05-31 08:12:52

Project settings

Protein sequence(s)	DTRPRFLWQPKRECHFFNGTERVRFLDRYFYNQEESVRFDSDVGEFRAVTELGRPDAEYWNSQKDILEQARAAVDTYCRHNYGVGESFTVQRRVQPKVTVYPSKTQPLQHHNLLVCSVSGFYPGSIEVRWFLNGQEEKAGMVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRA input pdb
Peptide sequence	AIYYKAREMGFKHINHQVVPTL
Simulation mc cycles	200
Peptide secondary structure psipred	CCCHHHHHHCCCCCCCCCCCCC

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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 3Dmol (WebGL)

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)	29.5486	3.75653	41.379	111
cluster_2.pdb ( medoid)	29.4664	3.97063	16.269	117
cluster_3.pdb ( medoid)	22.7148	7.08788	26.7822	161
cluster_4.pdb ( medoid)	18.5134	6.10369	15.5333	113
cluster_5.pdb ( medoid)	13.4434	5.28138	17.3515	71
cluster_6.pdb ( medoid)	11.0138	9.80588	21.1097	108
cluster_7.pdb ( medoid)	10.6415	9.30324	39.7356	99
cluster_8.pdb ( medoid)	7.96845	7.02772	30.2334	56
cluster_9.pdb ( medoid)	6.44284	13.969	31.886	90
cluster_10.pdb ( medoid)	3.81683	19.3878	64.0825	74