CABS-dock: 1P8J

Project name: 1P8J_98

Status: done

submitted: 2025-07-02 04:53:26, status changed: 2025-07-02 21:50:11

Project settings

Protein sequence(s)	VYQEPTDPKFPQQWYLSGVTQRDLNVKEAWAQGFTGHGIVVSILDDGIEKNHPDLAGNYDPGASFDVNDQDPDPQPRYTQMNDNRHGTRCAGEVAAVANNGVCGVGVAYNARIGGVRMLDGEVTDAVEARSLGLNPNHIHIYSASWGPEDDGKTVDGPARLAEEAFFRGVSQGRGGLGSIFVWASGNGGREHDSCNCDGYTNSIYTLSISSATQFGNVPWYSEACSSTLATTYSSGNQNEKQIVTTDLRQKCTESHTGTSASAPLAAGIIALTLEANKNLTWRDMQHLVVQTSKPAHLNADDWATNGVGRKVSHSYGYGLLDAGAMVALAQNWTTVAPQRKCIVEILVEPKDIGKRLEVRKAVTACLGEPNHITRLEHVQARLTLSYNRRGDLAIHLISPMGTRSTLLAARPHDYSADGFNDWAFMTTHSWDEDPAGEWVLEIENTSEANNYGTLTKFTLVLYGTAPEGL input pdb
Peptide sequence	QLADVSPAAFLTQQQLLPFYLHAM
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCHHHHHHHHHHHHHHHHCC

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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)	36.5129	3.42345	24.9523	125
cluster_2.pdb ( medoid)	31.469	5.1797	15.3272	163
cluster_3.pdb ( medoid)	16.5437	4.53344	20.4437	75
cluster_4.pdb ( medoid)	11.9341	7.87658	20.46	94
cluster_5.pdb ( medoid)	10.6129	16.2067	46.5876	172
cluster_6.pdb ( medoid)	8.34631	11.7417	27.2968	98
cluster_7.pdb ( medoid)	6.05144	18.3427	46.6418	111
cluster_8.pdb ( medoid)	4.37372	5.48732	14.8839	24
cluster_9.pdb ( medoid)	4.24744	10.5946	26.0776	45
cluster_10.pdb ( medoid)	3.84733	24.1726	44.201	93