CABS-dock: 1P8J

Project name: 1P8J_97

Status: done

submitted: 2025-07-02 04:52:28, status changed: 2025-07-02 21:30:54

Project settings

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

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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)	30.8612	3.59675	23.3073	111
cluster_2.pdb ( medoid)	30.2505	3.47101	31.7689	105
cluster_3.pdb ( medoid)	18.2792	5.3613	22.1674	98
cluster_4.pdb ( medoid)	15.7429	7.62248	24.6705	120
cluster_5.pdb ( medoid)	15.0283	12.0439	31.7163	181
cluster_6.pdb ( medoid)	11.6933	10.0912	23.9293	118
cluster_7.pdb ( medoid)	10.6177	9.13572	27.0355	97
cluster_8.pdb ( medoid)	4.45589	11.8944	26.6223	53
cluster_9.pdb ( medoid)	4.01839	18.6642	34.6825	75
cluster_10.pdb ( medoid)	3.70705	11.3298	34.704	42