CABS-dock: 1HL4YQEPVLGPVRGPFPILV

Project name: 1HL4YQEPVLGPVRGPFPILV

Status: done

submitted: 2024-09-13 08:35:03, status changed: 2024-09-14 08:03:43

Project settings

Protein sequence(s)	ATKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFHVHEFGDNTAGCTSAGPHFNPLSRKHGGPKDEERHVGDLGNVTADKDGVADVSIEDSVISLSGDHCIIGRTLVVHEKADDLGKGGNEESTKTGNAGSRLACGVIGIAQATKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFHVHEFGDNTAGCTSAGPHFNPLSRHVGDLGNVTADKDGVADVSIEDSVISLSGDHCIIGRTLVVHEKADGSRLACGVIGIAQATKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFHVHEFGDNTAGCTSAGPHFNPLSRKHGGPKDEERHVGDLGNVTADKDGVADVSIEDSVISLSGDHCIIGRTLVVHEKADDLGKGGNEESTKTGNAGSRLACGVIGIAQATKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFHVHEFGDNTAGCTSAGPHFNPLRHVGDLGNVTADKDGVADVSIEDSVISLSGDHCIIGRTLVVHEKADSRLACGVIGIAQ input pdb
Peptide sequence	YQEPVLGPVRGPFPILV
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCCCCCCCC

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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)	24.6192	4.50868	33.4243	111
cluster_2.pdb ( medoid)	18.293	7.76251	31.8307	142
cluster_3.pdb ( medoid)	17.6871	7.18038	35.988	127
cluster_4.pdb ( medoid)	11.7234	8.18877	31.6504	96
cluster_5.pdb ( medoid)	11.1624	8.86906	22.7451	99
cluster_6.pdb ( medoid)	7.13609	13.733	38.9092	98
cluster_7.pdb ( medoid)	7.03276	14.077	30.5281	99
cluster_8.pdb ( medoid)	6.87511	11.3453	34.8003	78
cluster_9.pdb ( medoid)	4.89699	17.9702	47.8274	88
cluster_10.pdb ( medoid)	2.83328	21.8828	50.1389	62