CABS-dock: Bacillus brevis

Project name: Bacillus brevis

Status: done

submitted: 2026-01-14 09:55:14, status changed: 2026-01-14 15:30:17

Project settings

Protein sequence(s)	MSRIILFAAILAIIAVSANGASNLPALDMASIPDEYKDLVPPEVTTFYNELTEDDKKILKEVAEKHSEYATDEDALNALKEKSEKLYTKANELRNLVKDRISKLNPEAKTFVDTIIEKLKALRPKEDEKPNLTELRKEANEIVEKFKALSEEAKESLKTNFPKITGVIQNEKFQKLAQSLLKPEGAAAPA input pdb
Peptide sequence	MNGSTTKTHDIIEKTEKFGARNYHPLPI
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCHHHHHHHHHHHCCCCCCCCCC

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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)	15.465	7.63012	45.7576	118
cluster_2.pdb ( medoid)	14.18	9.44992	40.643	134
cluster_3.pdb ( medoid)	13.3747	8.67308	32.3488	116
cluster_4.pdb ( medoid)	12.2709	11.1646	31.2614	137
cluster_5.pdb ( medoid)	11.6143	10.6765	36.7084	124
cluster_6.pdb ( medoid)	7.3669	8.95899	21.619	66
cluster_7.pdb ( medoid)	7.05171	10.3521	21.7502	73
cluster_8.pdb ( medoid)	6.97937	17.9099	36.4685	125
cluster_9.pdb ( medoid)	6.70217	8.2063	19.6319	55
cluster_10.pdb ( medoid)	2.76682	18.7941	39.0647	52