CABS-dock: GGA3

Project name: GGA3_VHS-1

Status: done

submitted: 2026-07-09 11:55:45, status changed: 2026-07-09 14:19:57

Project settings

Protein sequence(s)	ESLESWLNKATNPSNRQEDWEYIIGFCDQINKELEGPQIAVRLLAHKIQSPQEWEALQALTVLEACMKNCGRRFHNEVGKFRFLNELIKVVSPKYLGDRVSEKVKTKVIELLYSWTMALPEEAKIKDAYHMLKRQGIVQSDPPIPVDRTLI input pdb
Peptide sequence	HLWWDDD
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCC

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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)	51.4871	3.70966	15.496	191
cluster_2.pdb ( medoid)	27.2534	5.72407	24.9099	156
cluster_3.pdb ( medoid)	25.7562	7.80394	37.8539	201
cluster_4.pdb ( medoid)	24.0935	3.77695	20.0766	91
cluster_5.pdb ( medoid)	16.9461	8.37949	29.3698	142
cluster_6.pdb ( medoid)	11.3321	5.55941	16.9531	63
cluster_7.pdb ( medoid)	9.11825	5.1545	11.2354	47
cluster_8.pdb ( medoid)	6.24875	5.76116	14.0982	36
cluster_9.pdb ( medoid)	4.38841	10.4822	25.3325	46
cluster_10.pdb ( medoid)	2.38215	11.3343	28.9764	27