CABS-dock: 1HL4YQEPVLGPVRGPFPIL

Project name: 1HL4YQEPVLGPVRGPFPIL

Status: done

submitted: 2024-09-13 08:29:49, status changed: 2024-09-14 07:29:12

Project settings

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

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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)	47.4665	1.6854	4.07793	80
cluster_2.pdb ( medoid)	34.0991	3.25522	43.6463	111
cluster_3.pdb ( medoid)	17.4175	4.01894	7.21894	70
cluster_4.pdb ( medoid)	13.4122	9.46898	20.5351	127
cluster_5.pdb ( medoid)	12.1681	13.2313	43.3375	161
cluster_6.pdb ( medoid)	11.8841	12.2853	33.516	146
cluster_7.pdb ( medoid)	8.50702	12.8129	39.5837	109
cluster_8.pdb ( medoid)	5.16537	4.25914	18.5022	22
cluster_9.pdb ( medoid)	4.9265	15.2238	30.3033	75
cluster_10.pdb ( medoid)	3.83815	15.1114	30.3061	58