CABS-dock: 8de088e7550b4b

Project name: 8de088e7550b4b

Status: done

submitted: 2025-12-29 10:20:25, status changed: 2025-12-29 13:22:45

Project settings

Protein sequence(s)	MVLSDKTPGSASYRISDNNFVQCGSNCTMIIDGDVVRGRPQDPGAAASPAMVLSDKTPGSASYRISDNNFVQCGSNCTMIIDGDVVRGRPQDPGAAASPA input pdb
Peptide sequence	NPVTGRPLVNIYNCSGVQVGDNNYLTMQQT
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCEEEEECCCCCEECCCCEEEEECC

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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)	42.2186	2.51074	23.4725	106
cluster_2.pdb ( medoid)	30.3677	3.12833	15.7013	95
cluster_3.pdb ( medoid)	16.2318	3.81967	7.66536	62
cluster_4.pdb ( medoid)	13.8439	8.01794	28.8178	111
cluster_5.pdb ( medoid)	13.2877	10.0845	45.9703	134
cluster_6.pdb ( medoid)	11.8443	12.2422	34.9374	145
cluster_7.pdb ( medoid)	9.99541	17.7081	38.5393	177
cluster_8.pdb ( medoid)	6.60596	6.66065	13.7917	44
cluster_9.pdb ( medoid)	4.99149	14.2242	30.4369	71
cluster_10.pdb ( medoid)	4.59589	11.9672	30.2687	55