CABS-dock: 1507_2.DENEME

Project name: 1507_2.DENEME_SEKANS85

Status: done

submitted: 2025-08-02 19:11:57, status changed: 2025-08-04 11:33:12

Project settings

Protein sequence(s)	IRVFAIPPSFASIFLTKSTKLTCLVTDLTTYDSVTISWTRQNGEAVKTHTNISESHPNATFSAVGEASISEDDWNSGERFTCTVTHTDLPSPLKQTISRPKGVALHRPDVYLLPPAREQLNLRESATITCLVTGFSPADVFVQWMQRGQPLSPEKYVTSAPMPEPQAPGRYFAHSILTVSEEEWNTGETYTCVVAHEALPNRVTERTVDKSTIRVFAIPPSFASIFLTKSTKLTCLVTDLTTYDSVTISWTRQNGEAVKTHTNISESHPNATFSAVGEASISEDDWNSGERFTCTVTHTDLPSPLKQTISRPKGVALHRPDVYLLPPAREQLNLRESATITCLVTGFSPADVFVQWMQRGQPLSPEKYVTSAPMPEPQAPGRYFAHSILTVSEEEWNTGETYTCVVAHEALPNRVTERTVDKST input pdb
Peptide sequence	ITASSVISQRTQQTS
Simulation mc cycles	200
Peptide secondary structure psipred	CCHHHHHCHHHCCCC

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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

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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)	22.292	6.28028	28.9139	140
cluster_2.pdb ( medoid)	16.6838	7.67213	22.3682	128
cluster_3.pdb ( medoid)	15.3731	12.6845	52.4038	195
cluster_4.pdb ( medoid)	9.09086	11.6601	35.9664	106
cluster_5.pdb ( medoid)	8.35709	7.89749	15.6532	66
cluster_6.pdb ( medoid)	8.21066	17.051	45.3094	140
cluster_7.pdb ( medoid)	7.25222	12.2721	32.1257	89
cluster_8.pdb ( medoid)	4.34851	15.1776	35.1649	66
cluster_9.pdb ( medoid)	3.39854	13.8295	27.5797	47
cluster_10.pdb ( medoid)	1.82132	12.6282	36.4956	23