CABS-dock: primed p22

Project name: primed p22

Status: done

submitted: 2025-05-09 14:46:52, status changed: 2025-05-09 20:13:00

Project settings

Protein sequence(s)	TPIATFVSGSPSLNTYNATTVNSSANAFSCAYYLQQWNIQGLLVTSLYLKLDSATMGNRPGDLNSANAKWFTFWVSAYLQQCNPSGIQAGTVSPSTATLTDFEPMANRSVTSPWTYSANGYYEPSIGEFQVFSPVVTGAWNPGNIGIRVLPVPVSASGERYTLLCYSLQCTNASIFNPNNSGTMIVGPVLYSCPAASLP input pdb
Peptide sequence	QWKAFG
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)	36.4639	4.85412	13.6403	177
cluster_2.pdb ( medoid)	27.1969	3.34597	13.0367	91
cluster_3.pdb ( medoid)	18.437	5.5866	19.1531	103
cluster_4.pdb ( medoid)	15.2477	5.90251	16.9321	90
cluster_5.pdb ( medoid)	15.1229	12.0347	39.388	182
cluster_6.pdb ( medoid)	11.0395	6.43142	16.0244	71
cluster_7.pdb ( medoid)	10.97	7.29259	23.4145	80
cluster_8.pdb ( medoid)	10.0439	9.558	29.2111	96
cluster_9.pdb ( medoid)	6.78347	8.40278	25.3413	57
cluster_10.pdb ( medoid)	4.69786	11.2817	33.0575	53