CABS-dock: primed p3

Project name: primed p3

Status: done

submitted: 2025-05-09 13:56:02, status changed: 2025-05-09 18:34:59

Project settings

Protein sequence(s)	TPIATFVSGSPSLNTYNATTVNSSANAFSCAYYLQQWNIQGLLVTSLYLKLDSATMGNRPGDLNSANAKWFTFWVSAYLQQCNPSGIQAGTVSPSTATLTDFEPMANRSVTSPWTYSANGYYEPSIGEFQVFSPVVTGAWNPGNIGIRVLPVPVSASGERYTLLCYSLQCTNASIFNPNNSGTMIVGPVLYSCPAASLP input pdb
Peptide sequence	QWKKWW
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)	71.2535	1.58589	9.79027	113
cluster_2.pdb ( medoid)	26.846	7.26366	24.8708	195
cluster_3.pdb ( medoid)	24.0172	5.24624	26.8503	126
cluster_4.pdb ( medoid)	23.9578	2.12875	5.49591	51
cluster_5.pdb ( medoid)	21.0095	9.23391	44.6012	194
cluster_6.pdb ( medoid)	17.3311	3.57738	25.6764	62
cluster_7.pdb ( medoid)	8.9945	7.33782	25.5339	66
cluster_8.pdb ( medoid)	6.45538	12.3928	34.3401	80
cluster_9.pdb ( medoid)	5.78105	9.68682	25.3143	56
cluster_10.pdb ( medoid)	3.65911	15.5776	37.7878	57