CABS-dock: KR12 of Fnovocida acpP

Project name: KR12 of Fnovocida acpP

Status: done

submitted: 2025-03-10 16:09:10, status changed: 2025-03-10 20:28:54

Project settings

Protein sequence(s)	MSTHNEDSKKNNADEKAKIFSRVNHIIVEQLGVKEEDLKPEASFIDDLGADSLDTVELVMALEEEFDTEIPDEDAEKIRTVKDVYDYIESKDVG input pdb
Peptide sequence	KRIVQRIKDFLR
Simulation mc cycles	200
Peptide secondary structure psipred	CHHHHHHHHHHC

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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)	79.7218	2.09479	26.9175	167
cluster_2.pdb ( medoid)	65.4708	1.74123	12.8238	114
cluster_3.pdb ( medoid)	62.3936	2.06752	7.03656	129
cluster_4.pdb ( medoid)	42.9824	2.4196	9.42031	104
cluster_5.pdb ( medoid)	40.401	2.6732	11.3228	108
cluster_6.pdb ( medoid)	28.1365	2.20355	10.0736	62
cluster_7.pdb ( medoid)	25.4517	4.47908	16.7402	114
cluster_8.pdb ( medoid)	21.7209	5.98503	25.0213	130
cluster_9.pdb ( medoid)	3.69902	12.1654	25.0941	45
cluster_10.pdb ( medoid)	3.13252	8.61925	23.2704	27