CABS-dock: SWEETY84

Project name: SWEETY84

Status: done

submitted: 2025-11-12 09:52:49, status changed: 2025-11-12 15:36:15

Project settings

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

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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 3Dmol (WebGL)

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)	45.6493	2.34396	14.1456	107
cluster_2.pdb ( medoid)	34.4228	3.19556	12.9638	110
cluster_3.pdb ( medoid)	17.8968	6.25811	21.3041	112
cluster_4.pdb ( medoid)	16.6676	6.89961	18.7278	115
cluster_5.pdb ( medoid)	14.9953	8.60271	23.791	129
cluster_6.pdb ( medoid)	14.777	8.2561	30.6967	122
cluster_7.pdb ( medoid)	13.4956	10.2996	25.5331	139
cluster_8.pdb ( medoid)	10.1774	7.07451	13.1408	72
cluster_9.pdb ( medoid)	5.375	12.093	28.6949	65
cluster_10.pdb ( medoid)	4.30389	6.73809	14.4085	29