CABS-dock: 939cc689469eb0

Project name: 939cc689469eb0

Status: done

submitted: 2024-07-15 08:37:13, status changed: 2024-07-15 16:12:56

Project settings

Protein sequence(s)	SLTDEELVTMSVRELNQHLRGLSKEEIVQLKQRRRTLKNRGYAASCRVKRVTQKEELEKQKAELQQEVEKLASENASMKLELDALRSKYEALQTFARTVHLTRDELRAKALHIPFPVEKIINLPVVDFNEMMSKEQFNEAQLALIRDIRRRRGKNKVAAQNCRKRKLENNIVELEQDLDHLKDEKEKLLKEKGENDKSLHLLKKQLSGTSLTDEELVTMSVRELNQHLRGLSKEEIVQLKQRRRTLKNRGYAASCRVKRVTQKEELEKQKAELQQEVEKLASENASMKLELDALRSKYEALQTFARTVTRDELRAKALHIPFPVEKIINLPVVDFNEMMSKEQFNEAQLALIRDIRRRGKNKVAAQNCRKRKLENIVELEQDLDHLKDEKEKLLKEKGENDKSLHLLKKQLST input pdb
Peptide sequence	KEELEKQKAELQQEV
Simulation mc cycles	50
Peptide secondary structure psipred	CHHHHHHHHHHHHHC

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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)	26.7862	4.10659	19.927	110
cluster_2.pdb ( medoid)	19.9489	9.42407	51.4372	188
cluster_3.pdb ( medoid)	17.1826	6.51821	21.6095	112
cluster_4.pdb ( medoid)	14.5917	8.97773	39.5134	131
cluster_5.pdb ( medoid)	12.191	7.7106	26.3705	94
cluster_6.pdb ( medoid)	10.3829	12.0391	27.5701	125
cluster_7.pdb ( medoid)	6.75182	5.77622	17.7715	39
cluster_8.pdb ( medoid)	6.45294	8.98816	21.941	58
cluster_9.pdb ( medoid)	5.08841	16.9012	35.4113	86
cluster_10.pdb ( medoid)	4.41503	12.9104	36.9709	57