CABS-dock: eae6fa03ba66d42

Project name: eae6fa03ba66d42

Status: done

submitted: 2025-08-01 07:24:39, status changed: 2025-08-02 06:39:14

Project settings

Protein sequence(s)	GALLGADELARYFPDRNVALFVATWNMQGQKELPPSLDEFLLPAEADYAQDLYVIGVQEGCSDRREWETRLQETLGPHYVLLSSAAHGVLYMSLFIRRDLIWFCSEVECSTVTTRIVSQIKTKGALGISFTFFGTSFLFITSHFTSGDGKVAERLLDYTRTVQALVLPRNVPDTNPYRSSAADVTTRFDEVFWFGDFNFRLSGGRTVVDALLCVVDVPALLQHDQLIREMRKGSIFKGFQEPDIHFLPSYKFDIGKDTYDSTSKQRTPSYTDRVLYRSRHKGDICPVSYSSCPGIKTSDHRPVYGLFRVKVRPGRDNIPLAAGKFDRELYLLGIKRRISAGALLGADELARYFPDRNVALFVATWNMQGQKELPPSLDEFLLPAEADYAQDLYVIGVQEGCSDRREWETRLQETLGPHYVLLSSAAHGVLYMSLFIRRDLIWFCSEVECSTVTTRIVSQIKTKGALGISFTFFGTSFLFITSHFTSGDGKVAERLLDYTRTVQALVLPRNVPDTNPYRSSAADVTTRFDEVFWFGDFNFRLSGTVVDVDVPALLQHDQLIREMRKGSIFKGFQEPDIHFLPSYKFDIGKDTYDTPSYTDRVLYRSRHKGDICPVSYSSCPGIKTSDHRPVYGLFRVKVRPGRDNIPLAAGKFDRELYLLGIKRRIS input pdb
Peptide sequence	IVRKRTLRRLL
Simulation mc cycles	50
Peptide secondary structure psipred	CCCHHHHHHHC

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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)	22.5942	5.88647	34.636	133
cluster_2.pdb ( medoid)	21.1057	5.54352	37.0655	117
cluster_3.pdb ( medoid)	18.1673	6.44014	17.0192	117
cluster_4.pdb ( medoid)	13.8319	8.38639	28.974	116
cluster_5.pdb ( medoid)	9.96102	6.62582	17.5392	66
cluster_6.pdb ( medoid)	9.00661	10.2147	34.5713	92
cluster_7.pdb ( medoid)	8.41352	14.857	46.5013	125
cluster_8.pdb ( medoid)	6.42144	12.3025	29.9218	79
cluster_9.pdb ( medoid)	1.86507	12.332	20.6373	23
cluster_10.pdb ( medoid)	1.65287	19.3603	42.1783	32