CABS-dock: 251125 PD_CL2

Project name: 251125 PD_CL2_3

Status: done

submitted: 2025-11-25 02:10:45, status changed: 2025-11-25 06:46:28

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 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)	54.2903	1.93405	32.5127	105
cluster_2.pdb ( medoid)	49.5897	3.32731	13.6232	165
cluster_3.pdb ( medoid)	34.1696	8.34074	26.4847	285
cluster_4.pdb ( medoid)	11.5165	5.12309	13.9854	59
cluster_5.pdb ( medoid)	11.0389	12.5013	39.9127	138
cluster_6.pdb ( medoid)	5.77538	8.31114	17.3921	48
cluster_7.pdb ( medoid)	4.32428	8.78759	29.6834	38
cluster_8.pdb ( medoid)	4.2132	9.25662	23.2993	39
cluster_9.pdb ( medoid)	2.49633	11.6171	19.9376	29
cluster_10.pdb ( medoid)	1.34433	20.0844	42.2246	27