CABS-dock: primed p23

Project name: primed p23

Status: done

submitted: 2025-05-09 14:47:21, status changed: 2025-05-09 19:51:34

Project settings

Protein sequence(s)	TPIATFVSGSPSLNTYNATTVNSSANAFSCAYYLQQWNIQGLLVTSLYLKLDSATMGNRPGDLNSANAKWFTFWVSAYLQQCNPSGIQAGTVSPSTATLTDFEPMANRSVTSPWTYSANGYYEPSIGEFQVFSPVVTGAWNPGNIGIRVLPVPVSASGERYTLLCYSLQCTNASIFNPNNSGTMIVGPVLYSCPAASLP input pdb
Peptide sequence	WWHGHM
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)	30.2712	8.52295	35.5021	258
cluster_2.pdb ( medoid)	23.1845	6.29732	32.6386	146
cluster_3.pdb ( medoid)	20.8181	6.05243	25.1694	126
cluster_4.pdb ( medoid)	20.7913	6.445	33.5052	134
cluster_5.pdb ( medoid)	14.2491	5.05296	19.8531	72
cluster_6.pdb ( medoid)	11.1721	7.33974	27.026	82
cluster_7.pdb ( medoid)	9.02734	8.75119	27.9473	79
cluster_8.pdb ( medoid)	5.5198	5.97847	14.7044	33
cluster_9.pdb ( medoid)	3.62681	12.1319	34.7696	44
cluster_10.pdb ( medoid)	2.53876	10.2412	25.8431	26