CABS-dock: PMAP23 and ompA

Project name: PMAP23 and ompA

Status: done

submitted: 2026-05-02 09:29:06, status changed: 2026-05-02 11:51:06

Project settings

Protein sequence(s)	EVQTKHFTLKSDVLFNFNKSTLKPEGQQALDQLYSQLSNLDPGSVVVLGFTDRIGSDAYNQGLSEKRAQSVVDYLISKGIPSDKISARGGESNPVTGNTCDNVKPRAALIDCLAPDRRVEIEVKGVKDVV input pdb
Peptide sequence	RIIDLLWRVRRPQKPKFVTVWVR
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCHHHHCCCCCCCCEEEEEEC

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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)	23.2846	5.11068	30.564	119
cluster_2.pdb ( medoid)	13.9669	9.2361	39.268	129
cluster_3.pdb ( medoid)	13.961	8.52377	25.222	119
cluster_4.pdb ( medoid)	13.154	10.6431	27.5561	140
cluster_5.pdb ( medoid)	12.0424	7.97182	29.5558	96
cluster_6.pdb ( medoid)	9.56181	6.90246	31.4691	66
cluster_7.pdb ( medoid)	8.82227	9.63471	32.1507	85
cluster_8.pdb ( medoid)	7.3855	12.7277	26.6075	94
cluster_9.pdb ( medoid)	6.54053	10.3967	24.5565	68
cluster_10.pdb ( medoid)	5.91189	14.2087	36.1926	84