CABS-dock: 5fcf5dac733a334

Project name: 5fcf5dac733a334

Status: done

submitted: 2025-05-09 14:50:38, status changed: 2025-05-09 22:08:49

Project settings

Protein sequence(s)	VPGEVEMVKGQPFDVGPRYTQLQYIGEGAYGMVSSAYDHVRKTRVAIKKISPFEHQTYCQRTLREIQILLRFRHENVIGIRDILRASTLEAMRDVYIVQDLMETDLYKLLKSQQLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLINTTCDLKICDFGLARIADPEHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINMKARNYLQSLPSKTKVAWAKLFPKSDSKALDLLDRMLTFNPNKRITVEEALAHPYLEQYYDPTDEPVAEEPFTFAMELDDLPKERLKELIFQETARFQPGVLEAP input pdb
Peptide sequence	SHVIYIPYSRFQ
Simulation mc cycles	50
Peptide secondary structure psipred	CCEEEEECCCCC

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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)	42.0651	4.63567	26.5515	195
cluster_2.pdb ( medoid)	21.2444	3.43621	9.45113	73
cluster_3.pdb ( medoid)	15.8671	6.99559	41.3678	111
cluster_4.pdb ( medoid)	11.8626	9.69431	31.6	115
cluster_5.pdb ( medoid)	9.9041	9.89489	34.309	98
cluster_6.pdb ( medoid)	9.23886	15.5863	43.2933	144
cluster_7.pdb ( medoid)	7.13446	14.1566	29.0424	101
cluster_8.pdb ( medoid)	5.64827	12.3932	36.554	70
cluster_9.pdb ( medoid)	3.81259	16.5242	35.6928	63
cluster_10.pdb ( medoid)	1.68658	17.7874	38.6853	30