CABS-dock: primed p26

Project name: primed p26

Status: done

submitted: 2025-05-09 14:48:49, status changed: 2025-05-09 20:11:20

Project settings

Protein sequence(s)	TPIATFVSGSPSLNTYNATTVNSSANAFSCAYYLQQWNIQGLLVTSLYLKLDSATMGNRPGDLNSANAKWFTFWVSAYLQQCNPSGIQAGTVSPSTATLTDFEPMANRSVTSPWTYSANGYYEPSIGEFQVFSPVVTGAWNPGNIGIRVLPVPVSASGERYTLLCYSLQCTNASIFNPNNSGTMIVGPVLYSCPAASLP input pdb
Peptide sequence	MQKYTY
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCC

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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)	35.1771	3.35445	13.7985	118
cluster_2.pdb ( medoid)	21.6052	12.7284	40.1574	275
cluster_3.pdb ( medoid)	18.5014	5.29689	26.4568	98
cluster_4.pdb ( medoid)	16.4674	5.04027	19.4526	83
cluster_5.pdb ( medoid)	15.2579	3.1459	9.81063	48
cluster_6.pdb ( medoid)	13.8632	9.37732	26.2593	130
cluster_7.pdb ( medoid)	9.32461	8.79394	23.656	82
cluster_8.pdb ( medoid)	8.88654	7.42696	18.131	66
cluster_9.pdb ( medoid)	5.55038	6.48604	13.6263	36
cluster_10.pdb ( medoid)	4.71964	13.5604	38.2002	64