CABS-dock: all_three

Project name: all_three_invariants

Status: done

submitted: 2025-12-28 01:27:07, status changed: 2025-12-28 10:50:19

Project settings

Protein sequence(s)	SSVFVPDEWEVSREKITLLRELGQGSFGMVYEGNARDIIKGEAETRVAVKTVNESASLRERIEFLNEASVMKGFTCHHVVRLLGVVSKGQPTLVVMELMAHGDLKSYLRSLRPEAENNPGRPPPTLQEMIQMAAEIADGMAYLNAKKFVHRDLAARNCMVAHDFTVKIGDFGMTRDIETDRKGGKGLLPVRWMAPESLKDGVFTTSSDMWSFGVVLWEITSLAEQPYQGLSNEQVLKFVMDGGYLDQPDNCPERVTDLMRMCWQFNPKMRPTFLEIVNLLKDDLHPSFPEVSFFHSEENKGDYMNM input pdb
Peptide sequence	NEDKELCGSHLVDMLPDYCGERGFFYSTHK
Simulation mc cycles	50
Peptide secondary structure psipred	CCCHHHHHHHHHHHCHHHHCCCCCCCCCCC

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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)	66.2316	1.50985	2.53915	100
cluster_2.pdb ( medoid)	26.5422	3.76758	7.2867	100
cluster_3.pdb ( medoid)	22.4783	4.84913	25.0681	109
cluster_4.pdb ( medoid)	22.3241	4.92742	14.5377	110
cluster_5.pdb ( medoid)	11.3859	11.769	38.8773	134
cluster_6.pdb ( medoid)	11.1949	14.2029	32.7588	159
cluster_7.pdb ( medoid)	8.62515	12.9853	42.1878	112
cluster_8.pdb ( medoid)	6.72333	9.9653	37.4659	67
cluster_9.pdb ( medoid)	4.78693	10.654	29.843	51
cluster_10.pdb ( medoid)	3.68049	15.7588	40.5366	58