CABS-dock: SWEETY81

Project name: SWEETY81

Status: done

submitted: 2025-11-12 09:46:37, status changed: 2025-11-12 15:54:13

Project settings

Protein sequence(s)	IKEEHTIIQAEFYLLPDKRGEFMFDFDGDEIFHVDIEKSETIWRLEEFAKFASFEAQGALANIAVDKANLDVMKERSNNTPDANVAPEVTVLSRSPVNLGEPNILICFIDKFSPPVVNVTWLRNGRPVTEGVSETVFLPRDDHLFRKFHYLTFLPSTDDFYDCEVDHWGLEEPLRKHWEFEE input pdb
Peptide sequence	AVSGVVIADTGSTGVGT
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCEEEECCCCCCCCC

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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)	49.3554	2.43134	9.78576	120
cluster_2.pdb ( medoid)	32.1142	3.86122	21.9387	124
cluster_3.pdb ( medoid)	31.912	3.85434	19.7489	123
cluster_4.pdb ( medoid)	16.5506	9.78816	33.7294	162
cluster_5.pdb ( medoid)	13.8684	5.33588	12.0196	74
cluster_6.pdb ( medoid)	11.7057	6.40714	17.8124	75
cluster_7.pdb ( medoid)	9.71126	10.5033	31.4618	102
cluster_8.pdb ( medoid)	7.62109	14.3024	34.4675	109
cluster_9.pdb ( medoid)	6.5742	11.2561	30.1957	74
cluster_10.pdb ( medoid)	2.90482	12.7374	23.518	37