CABS-dock: primed p21

Project name: primed p21

Status: done

submitted: 2025-05-09 14:46:19, status changed: 2025-05-09 19:49:08

Project settings

Protein sequence(s)	TPIATFVSGSPSLNTYNATTVNSSANAFSCAYYLQQWNIQGLLVTSLYLKLDSATMGNRPGDLNSANAKWFTFWVSAYLQQCNPSGIQAGTVSPSTATLTDFEPMANRSVTSPWTYSANGYYEPSIGEFQVFSPVVTGAWNPGNIGIRVLPVPVSASGERYTLLCYSLQCTNASIFNPNNSGTMIVGPVLYSCPAASLP input pdb
Peptide sequence	QWKQKW
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 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

Download all files

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)	31.832	2.76451	17.822	88
cluster_2.pdb ( medoid)	28.6783	6.34627	29.8378	182
cluster_3.pdb ( medoid)	24.6216	3.73655	12.094	92
cluster_4.pdb ( medoid)	23.2278	5.51065	16.4042	128
cluster_5.pdb ( medoid)	19.8521	6.29657	23.082	125
cluster_6.pdb ( medoid)	16.0264	5.42856	12.2293	87
cluster_7.pdb ( medoid)	12.7948	8.59725	28.9517	110
cluster_8.pdb ( medoid)	10.0477	13.3364	33.2433	134
cluster_9.pdb ( medoid)	3.80564	7.62027	18.1328	29
cluster_10.pdb ( medoid)	3.34208	7.48038	20.6928	25