CABS-dock: Npa3

Project name: Npa3_3D

Status: done

submitted: 2026-01-21 15:01:02, status changed: 2026-01-21 22:34:22

Project settings

Protein sequence(s)	SLSTIICIGMAGSGKTTFMQRLNSHLRAEKTPPYVINLDPAVLRVPYGANIDIRDSIKYKKVGPNGAIVTSLNLFSTKIDQVIRLVEQKKDKFQNCIIDTPGQIECFVWSASGAIITESFASSFPTVIAYIVDTPRDSSPTTDMSNMLYACSILYKTKLPMIVVFNKTDVCKADFAKEDMTDFESFQAAIKEDQDGYMSSLVNSMSLMLEEFYSQLDVVGVSSFTGDGFDEFMQCVDKKVDEYDQYYKKHHHH input pdb
Peptide sequence	KNTMQYLTNFSRFRD
Simulation mc cycles	50
Peptide secondary structure psipred	CCCHHHHHCHHHHCC

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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)	51.3886	2.17947	20.1293	112
cluster_2.pdb ( medoid)	36.283	5.53979	16.6508	201
cluster_3.pdb ( medoid)	35.2122	3.7203	19.6516	131
cluster_4.pdb ( medoid)	20.9113	8.03392	24.4199	168
cluster_5.pdb ( medoid)	17.2605	4.69281	22.3466	81
cluster_6.pdb ( medoid)	12.8911	8.06755	16.8554	104
cluster_7.pdb ( medoid)	8.28771	6.99832	21.5908	58
cluster_8.pdb ( medoid)	5.82896	12.8668	36.8375	75
cluster_9.pdb ( medoid)	2.99025	13.0424	38.3377	39
cluster_10.pdb ( medoid)	1.71405	18.0858	37.6496	31