CABS-dock: 251125 PD_CL2

Project name: 251125 PD_CL2_6

Status: done

submitted: 2025-11-25 02:12:05, status changed: 2025-11-25 06:48:45

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

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)	35.4164	5.47769	17.7277	194
cluster_2.pdb ( medoid)	21.7862	11.7506	35.1835	256
cluster_3.pdb ( medoid)	18.3771	7.45494	28.3397	137
cluster_4.pdb ( medoid)	10.054	8.95167	19.0537	90
cluster_5.pdb ( medoid)	9.02116	6.20762	27.1221	56
cluster_6.pdb ( medoid)	6.8654	11.07	31.0834	76
cluster_7.pdb ( medoid)	6.44371	12.4152	36.844	80
cluster_8.pdb ( medoid)	5.96057	5.36862	15.2414	32
cluster_9.pdb ( medoid)	4.45801	8.74829	27.7519	39
cluster_10.pdb ( medoid)	3.23215	12.3757	27.6912	40