CABS-dock: edf9f5afe5403c2

Project name: edf9f5afe5403c2

Status: done

submitted: 2024-07-26 06:30:37, status changed: 2024-07-26 08:24:35

Project settings

Protein sequence(s)	ATKLTEEKYELKEGQTLDVKCDYTLEKFASSQKAWQIIRDGEMPKTLACTERPSKNSHPVQVGRIILEDYHDHGLLRVRMVNLQVEDSGLYQCVIYQPPKEPHMLFDRIRLVV input pdb
Peptide sequence	LQVTDSGLYRCVIYHPP
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCEEEEEEECCC

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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)	23.9251	2.71682	18.6087	65
cluster_2.pdb ( medoid)	16.8985	9.52746	26.4312	161
cluster_3.pdb ( medoid)	16.1528	9.65775	34.585	156
cluster_4.pdb ( medoid)	15.6976	2.42075	13.877	38
cluster_5.pdb ( medoid)	11.8879	8.15955	25.7158	97
cluster_6.pdb ( medoid)	10.9374	13.4401	30.3659	147
cluster_7.pdb ( medoid)	10.2883	10.9834	25.4591	113
cluster_8.pdb ( medoid)	9.11007	9.76941	23.6898	89
cluster_9.pdb ( medoid)	5.64621	12.3977	25.5117	70
cluster_10.pdb ( medoid)	5.12312	12.4924	23.7549	64