CABS-dock: SWEETY86

Project name: SWEETY86

Status: done

submitted: 2025-11-12 09:56:14, status changed: 2025-11-12 16:23:55

Project settings

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

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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)	39.7802	5.25387	17.8508	209
cluster_2.pdb ( medoid)	29.7587	4.26766	15.0606	127
cluster_3.pdb ( medoid)	27.4002	3.6861	12.3517	101
cluster_4.pdb ( medoid)	19.9736	4.85641	13.3438	97
cluster_5.pdb ( medoid)	18.6256	4.88574	30.7746	91
cluster_6.pdb ( medoid)	15.2546	7.86649	19.3104	120
cluster_7.pdb ( medoid)	10.6759	7.11885	23.408	76
cluster_8.pdb ( medoid)	8.93915	6.48831	18.6565	58
cluster_9.pdb ( medoid)	6.0456	11.7441	25.8119	71
cluster_10.pdb ( medoid)	3.63866	13.7413	28.4812	50