CABS-dock: 83b783db4beda96

Project name: 83b783db4beda96

Status: done

submitted: 2025-04-16 05:35:20, status changed: 2025-04-16 12:30:07

Project settings

Protein sequence(s)	GSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDGETRKVKAHSQTHRVDLGTLRGYYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQTTKHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM input pdb
Peptide sequence	TLYVATTI
Simulation mc cycles	50
Peptide secondary structure psipred	CCEEEECC

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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

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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)	59.4127	1.69997	9.40139	101
cluster_2.pdb ( medoid)	56.5234	1.76918	3.38896	100
cluster_3.pdb ( medoid)	56.188	1.77974	4.75983	100
cluster_4.pdb ( medoid)	37.3448	1.98153	18.0933	74
cluster_5.pdb ( medoid)	25.7642	7.84035	23.6044	202
cluster_6.pdb ( medoid)	22.1997	4.36943	11.2412	97
cluster_7.pdb ( medoid)	18.7587	6.61028	24.5908	124
cluster_8.pdb ( medoid)	18.123	3.25553	5.97579	59
cluster_9.pdb ( medoid)	17.562	7.28845	14.0334	128
cluster_10.pdb ( medoid)	1.6973	8.83755	19.8445	15