CABS-dock: B2R

Project name: B2R_KEP

Status: done

submitted: 2026-04-18 17:50:58, status changed: 2026-04-18 23:33:57

Project settings

Protein sequence(s)	PEAWDLLHRVLPTFIISICFFGLLGNLFVLLVFLLPRRQLNVAEIYLANLAASDLVFVLGLPFWAENIWNQFNWPFGALLCRVINGVIKANLFISIWLVVAISQDRYRVLVHPMASRRQQRRRQARVTCVLIWVVGGLLSIPTFLLRSIQAVPDLNITACILLLPHEAWHFARIVELNILGFLLPLAAIVFFNYHILASLRTREEVSRTRSKTTALILTLVVAFLVCWAPYHFFAFLEFLFQVQAVRGCFWEDFIDLGLQLANFFAFTNSSLNPVIYVFVGRLFRTKVWELYKQC input pdb
Peptide sequence	SFSQNCDIYPGKDFVQPPTK
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCCCCCCCCCCC

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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

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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)	95.5449	1.04663	3.1676	100
cluster_2.pdb ( medoid)	35.9923	5.64009	23.7876	203
cluster_3.pdb ( medoid)	24.9892	2.321	12.9739	58
cluster_4.pdb ( medoid)	17.0219	8.16593	20.6744	139
cluster_5.pdb ( medoid)	14.2692	7.91913	19.6517	113
cluster_6.pdb ( medoid)	9.57873	7.82985	27.0941	75
cluster_7.pdb ( medoid)	9.06612	10.4786	32.2509	95
cluster_8.pdb ( medoid)	7.54796	7.15425	18.0839	54
cluster_9.pdb ( medoid)	5.31254	19.3881	36.44	103
cluster_10.pdb ( medoid)	3.92152	15.3002	33.997	60