CABS-dock: 251125 PD_CL2

Project name: 251125 PD_CL2_4

Status: done

submitted: 2025-11-25 02:11:16, status changed: 2025-11-25 06:48:03

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)	33.622	3.18244	22.091	107
cluster_2.pdb ( medoid)	32.2593	3.75086	16.0547	121
cluster_3.pdb ( medoid)	26.4753	4.8347	18.6514	128
cluster_4.pdb ( medoid)	25.2341	6.89544	21.9222	174
cluster_5.pdb ( medoid)	18.5135	7.72409	20.8584	143
cluster_6.pdb ( medoid)	11.0526	9.68096	35.9652	107
cluster_7.pdb ( medoid)	10.1809	10.6081	26.9804	108
cluster_8.pdb ( medoid)	7.26763	6.19184	20.8061	45
cluster_9.pdb ( medoid)	3.45638	11.8621	21.846	41
cluster_10.pdb ( medoid)	2.53058	10.2743	19.3787	26