CABS-dock: be51b50baa6c4cf

Project name: be51b50baa6c4cf

Status: done

submitted: 2025-06-20 17:43:10, status changed: 2025-06-21 01:51:00

Project settings

Protein sequence(s)	GSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDGETRKVKAHSQTHRVDLGTLRGYYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQTTKHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWEFLPSDFFPSVMIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM input pdb
Peptide sequence	AYAYELVLL
Simulation mc cycles	50
Peptide secondary structure psipred	CCEEEEEEC

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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)	27.0677	4.47027	37.9414	121
cluster_2.pdb ( medoid)	19.4531	6.27148	39.8898	122
cluster_3.pdb ( medoid)	16.5992	6.62681	17.3846	110
cluster_4.pdb ( medoid)	14.1454	6.64526	15.0435	94
cluster_5.pdb ( medoid)	14.1341	7.2166	26.4168	102
cluster_6.pdb ( medoid)	14.1013	6.94972	44.3907	98
cluster_7.pdb ( medoid)	11.5156	10.8548	27.1813	125
cluster_8.pdb ( medoid)	9.95773	10.645	40.4549	106
cluster_9.pdb ( medoid)	6.70817	11.1804	44.0296	75
cluster_10.pdb ( medoid)	4.25348	11.0498	32.9689	47