CABS-dock: primed p13

Project name: primed p13

Status: done

submitted: 2025-05-09 14:41:38, status changed: 2025-05-09 19:45:46

Project settings

Protein sequence(s)	TPIATFVSGSPSLNTYNATTVNSSANAFSCAYYLQQWNIQGLLVTSLYLKLDSATMGNRPGDLNSANAKWFTFWVSAYLQQCNPSGIQAGTVSPSTATLTDFEPMANRSVTSPWTYSANGYYEPSIGEFQVFSPVVTGAWNPGNIGIRVLPVPVSASGERYTLLCYSLQCTNASIFNPNNSGTMIVGPVLYSCPAASLP input pdb
Peptide sequence	WWHEWG
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)	53.9612	3.76196	24.5611	203
cluster_2.pdb ( medoid)	29.5848	5.10397	14.4621	151
cluster_3.pdb ( medoid)	27.2059	4.30053	17.6687	117
cluster_4.pdb ( medoid)	26.4728	3.62636	17.9167	96
cluster_5.pdb ( medoid)	24.3298	4.4801	30.8187	109
cluster_6.pdb ( medoid)	17.4197	8.20908	30.3657	143
cluster_7.pdb ( medoid)	10.1163	6.72182	20.8211	68
cluster_8.pdb ( medoid)	7.52101	5.71732	12.3579	43
cluster_9.pdb ( medoid)	5.35534	9.89666	30.9548	53
cluster_10.pdb ( medoid)	1.36036	12.4967	30.729	17