CABS-dock: 1HL4GAGAAPGGGAG

Project name: 1HL4GAGAAPGGGAG

Status: done

submitted: 2024-09-13 08:35:45, status changed: 2024-09-14 07:42:14

Project settings

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

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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)	16.4303	7.18184	32.5881	118
cluster_2.pdb ( medoid)	16.3953	6.89223	34.7392	113
cluster_3.pdb ( medoid)	15.8295	8.08615	41.97	128
cluster_4.pdb ( medoid)	14.3638	10.443	32.5204	150
cluster_5.pdb ( medoid)	13.17	8.65601	32.3125	114
cluster_6.pdb ( medoid)	12.3483	8.98909	45.7261	111
cluster_7.pdb ( medoid)	10.5568	12.1249	50.9336	128
cluster_8.pdb ( medoid)	3.41132	19.0542	48.9604	65
cluster_9.pdb ( medoid)	3.01949	18.8773	39.4077	57
cluster_10.pdb ( medoid)	1.1406	14.0277	32.6343	16