CABS-dock: P-Peptide23

Project name: P-Peptide23

Status: done

submitted: 2026-04-18 17:48:17, status changed: 2026-04-19 01:22:43

Project settings

Protein sequence(s)	MELEEGKAGSGLRQYYLSKIEELQLIVNDKSQNLRRLQAQRNELNAKVRLLREELQLLQEQGSYVGEVVRAMDKKKVLVKVHPEGKFVVDVDKNIDINDVTPNCRVALRNDSYTLHKILPNKVDPLVSLMMVEKVPDSTYEMIGGLDKQIKEIKEVIELPVKHPELFEALGIAQPKGVLLYGPPGTGKTLLARAVAHHTDCTFIRVSGSELVQKFIGEGARMVRELFVMAREHAPSIIFMDEIDSIGSSRLEGGSGGDSEVQRTMLELLNQLDGFEATKNIKVIMATNRIDILDSALLRPGRIDRKIEFPPPNEEARLDILKIHSRKMNLTRGINLRKIAELMPGASGAEVKGVCTEAGMYALRERRVHVTQEDFEMAVAKVMQKDSEKNMSIKKLWK input pdb
Peptide sequence	DEDFMEVV
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCC

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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)	84.9592	1.17704	11.8026	100
cluster_2.pdb ( medoid)	23.7644	1.05199	3.33567	25
cluster_3.pdb ( medoid)	22.0696	1.94838	4.91095	43
cluster_4.pdb ( medoid)	22.0463	0.952541	2.21216	21
cluster_5.pdb ( medoid)	19.4075	1.54579	3.37373	30
cluster_6.pdb ( medoid)	10.0236	1.09741	1.97714	11
cluster_7.pdb ( medoid)	7.62642	2.49134	6.08234	19
cluster_8.pdb ( medoid)	7.29036	4.52652	11.5566	33
cluster_9.pdb ( medoid)	3.64391	2.19544	2.96949	8
cluster_10.pdb ( medoid)	2.28311	4.37999	8.94033	10