CABS-dock: 626368d65e1df88

Project name: 626368d65e1df88

Status: done

submitted: 2026-01-21 15:04:10, status changed: 2026-01-21 20:49:58

Project settings

Protein sequence(s)	GSLFQLKRETDDLEQWISSEKELVASSPEMGQDFDHVTLLRDKFRDFARETGAIIGQERVDNVNAFIERLLIDAGHSEAATTIAEWKDGLNEMWADLLLELIDDTRMQLLAASYDLHRYFYTGAEILGLIDEKHRELPHRVHTAFERELHLLLGVQVQQFQDVATRLQTAYAGEKAEAIQNKEQEVSAAWQALLDACA input pdb
Peptide sequence	VDPREGKTSSSFRAHESHKA
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCHHCCCCHHCCC

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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)	43.371	2.37486	21.9958	103
cluster_2.pdb ( medoid)	37.6947	2.73248	11.9311	103
cluster_3.pdb ( medoid)	23.5014	5.95709	24.6745	140
cluster_4.pdb ( medoid)	23.3393	4.37031	20.5863	102
cluster_5.pdb ( medoid)	17.2261	3.42503	6.37971	59
cluster_6.pdb ( medoid)	12.3698	10.0244	26.2902	124
cluster_7.pdb ( medoid)	12.0227	13.5577	43.6646	163
cluster_8.pdb ( medoid)	4.56889	12.0379	27.5478	55
cluster_9.pdb ( medoid)	4.48118	12.943	36.892	58
cluster_10.pdb ( medoid)	2.18914	21.4697	40.4468	47