CABS-dock: 70f46baa1c2c59

Project name: 70f46baa1c2c59

Status: done

submitted: 2025-05-09 14:49:51, status changed: 2025-05-10 00:05:54

Project settings

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

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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)	388.141	0.260215	9.31092	101
cluster_2.pdb ( medoid)	40.3347	2.72718	25.9805	110
cluster_3.pdb ( medoid)	23.9735	4.12956	9.0119	99
cluster_4.pdb ( medoid)	23.2984	5.62271	24.709	131
cluster_5.pdb ( medoid)	22.5865	5.40145	19.4279	122
cluster_6.pdb ( medoid)	15.9583	8.3342	29.8231	133
cluster_7.pdb ( medoid)	13.6575	9.81143	35.6821	134
cluster_8.pdb ( medoid)	7.87452	8.00049	20.3848	63
cluster_9.pdb ( medoid)	6.46688	7.11316	13.2711	46
cluster_10.pdb ( medoid)	3.90854	15.6069	30.9974	61