CABS-dock: 1HL4GVYYPGAGIGGGLGGGALGPGGKPPK

Project name: 1HL4GVYYPGAGIGGGLGGGALGPGGKPPK

Status: done

submitted: 2024-09-13 08:31:35, status changed: 2024-09-14 08:41:38

Project settings

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

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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)	20.1342	7.25134	17.1299	146
cluster_2.pdb ( medoid)	16.9668	6.60113	44.6196	112
cluster_3.pdb ( medoid)	12.3494	9.23122	37.565	114
cluster_4.pdb ( medoid)	6.16533	18.4905	42.605	114
cluster_5.pdb ( medoid)	5.43147	16.5701	56.6735	90
cluster_6.pdb ( medoid)	5.17911	16.0259	30.7202	83
cluster_7.pdb ( medoid)	4.21433	15.8981	41.0452	67
cluster_8.pdb ( medoid)	3.92628	17.3192	52.1657	68
cluster_9.pdb ( medoid)	2.80242	22.8374	50.6065	64
cluster_10.pdb ( medoid)	1.32211	25.7166	52.8327	34