CABS-dock: 72e762145abdea1

Project name: 72e762145abdea1

Status: done

submitted: 2025-12-28 18:15:26, status changed: 2025-12-28 20:59:41

Project settings

Protein sequence(s)	MVLSSDPPGPAAYRISDSSFVQCGSNCSMIIDGDVARGHLRDLEGATMVLSSDPPGPAAYRISDSSFVQCGSNCSMIIDGDVARGHLRDLEGAT 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)	21.5274	5.48138	27.9267	118
cluster_2.pdb ( medoid)	17.5689	9.84692	29.9383	173
cluster_3.pdb ( medoid)	14.3654	8.97989	23.5573	129
cluster_4.pdb ( medoid)	12.9677	8.71399	29.3268	113
cluster_5.pdb ( medoid)	12.0019	11.9981	30.3552	144
cluster_6.pdb ( medoid)	10.5729	7.5665	18.4769	80
cluster_7.pdb ( medoid)	8.36797	7.1702	22.7199	60
cluster_8.pdb ( medoid)	7.8234	8.81969	29.9678	69
cluster_9.pdb ( medoid)	5.08867	12.97	29.5524	66
cluster_10.pdb ( medoid)	4.08286	11.7565	22.5354	48