CABS-dock: 4746f2efebcd2b9

Project name: 4746f2efebcd2b9

Status: done

submitted: 2025-04-15 20:18:50, status changed: 2025-04-15 20:31:07

Project settings

Protein sequence(s)	VESQTNGIIR input pdb
Peptide sequence	VESQTNGIIR
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCC

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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

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)	32.6452	5.39129	18.1865	176
cluster_2.pdb ( medoid)	15.3969	8.24842	17.5006	127
cluster_3.pdb ( medoid)	13.3784	10.0909	29.3548	135
cluster_4.pdb ( medoid)	8.91659	10.8786	28.5119	97
cluster_5.pdb ( medoid)	8.72559	9.39764	27.8128	82
cluster_6.pdb ( medoid)	8.03252	11.2045	28.1027	90
cluster_7.pdb ( medoid)	7.73166	8.53633	26.9372	66
cluster_8.pdb ( medoid)	7.48426	10.8227	25.6673	81
cluster_9.pdb ( medoid)	7.18665	10.2969	29.901	74
cluster_10.pdb ( medoid)	4.58965	13.2908	38.324	61