CABS-dock: 597a3f0d6da3056

Project name: 597a3f0d6da3056

Status: done

submitted: 2025-06-01 13:46:30, status changed: 2025-06-04 05:17:50

Project settings

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

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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)	26.1607	4.20478	26.9161	110
cluster_2.pdb ( medoid)	19.523	5.17338	19.932	101
cluster_3.pdb ( medoid)	15.6845	12.3689	59.5633	194
cluster_4.pdb ( medoid)	10.3023	7.18284	22.349	74
cluster_5.pdb ( medoid)	10.053	14.4235	50.5835	145
cluster_6.pdb ( medoid)	9.2172	11.7172	46.2032	108
cluster_7.pdb ( medoid)	6.33946	12.9349	38.1567	82
cluster_8.pdb ( medoid)	5.32678	13.5166	43.0057	72
cluster_9.pdb ( medoid)	2.99396	20.7083	65.2086	62
cluster_10.pdb ( medoid)	2.90241	17.9162	38.7584	52