CABS-dock: 251125 PD_CL2

Project name: 251125 PD_CL2_9

Status: done

submitted: 2025-11-25 02:13:14, status changed: 2025-11-25 06:52:33

Project settings

Protein sequence(s)	AFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPEL input pdb
Peptide sequence	WHRSYYTWNLNT
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCEECEECCC

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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)	32.7556	2.80868	13.861	92
cluster_2.pdb ( medoid)	31.8052	3.33279	13.2747	106
cluster_3.pdb ( medoid)	25.4819	4.86621	34.0022	124
cluster_4.pdb ( medoid)	20.3615	5.00946	18.8821	102
cluster_5.pdb ( medoid)	19.7935	7.52773	38.5349	149
cluster_6.pdb ( medoid)	19.7501	8.10121	23.7359	160
cluster_7.pdb ( medoid)	16.6432	10.0342	22.2453	167
cluster_8.pdb ( medoid)	6.70645	9.69217	21.2611	65
cluster_9.pdb ( medoid)	1.56012	12.1785	27.0621	19
cluster_10.pdb ( medoid)	1.07318	14.909	31.0893	16