CABS-dock: 64ea047de4c923a

Project name: 64ea047de4c923a

Status: done

submitted: 2025-12-31 15:54:29, status changed: 2025-12-31 18:46:01

Project settings

Protein sequence(s)	MVLSSDPPGPAAYRISDSSFVQCGSNCSMIIDGDVARGHLRDLEGATMVLSSDPPGPAAYRISDSSFVQCGSNCSMIIDGDVARGHLRDLEGAT input pdb
Peptide sequence	LPPTDESIKYTIYNSTGIQIGAYNYMEIGG
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCEEEECCCCEEECCCCEECCCC

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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)	28.2498	3.68144	19.6791	104
cluster_2.pdb ( medoid)	21.8951	5.29799	29.6837	116
cluster_3.pdb ( medoid)	15.0891	7.29005	26.7313	110
cluster_4.pdb ( medoid)	11.4162	10.161	26.1993	116
cluster_5.pdb ( medoid)	9.53309	12.0632	28.7043	115
cluster_6.pdb ( medoid)	8.53282	12.7742	29.6465	109
cluster_7.pdb ( medoid)	7.08622	15.6642	34.9544	111
cluster_8.pdb ( medoid)	6.35157	16.2165	30.1385	103
cluster_9.pdb ( medoid)	5.97976	13.3785	31.9436	80
cluster_10.pdb ( medoid)	2.71711	13.2494	29.3452	36