CABS-dock: 1P8J

Project name: 1P8J_67

Status: done

submitted: 2025-07-02 04:40:07, status changed: 2025-07-02 21:07:47

Project settings

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

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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)	37.7878	2.6199	11.2061	99
cluster_2.pdb ( medoid)	33.3197	3.36137	19.3773	112
cluster_3.pdb ( medoid)	32.6649	3.42875	41.1576	112
cluster_4.pdb ( medoid)	21.711	5.89564	29.8797	128
cluster_5.pdb ( medoid)	17.5819	6.99584	32.9724	123
cluster_6.pdb ( medoid)	16.5934	8.73839	32.5347	145
cluster_7.pdb ( medoid)	10.1294	6.81189	28.547	69
cluster_8.pdb ( medoid)	9.14883	11.0397	47.018	101
cluster_9.pdb ( medoid)	4.85147	9.48166	21.6438	46
cluster_10.pdb ( medoid)	3.46242	18.773	44.8293	65