CABS-dock: 251125 PD

Project name: 251125 PD_CL2

Status: done

submitted: 2025-11-25 02:09:35, status changed: 2025-11-25 06:46:34

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)	34.0549	4.75702	16.5379	162
cluster_2.pdb ( medoid)	28.5618	5.00668	11.6095	143
cluster_3.pdb ( medoid)	15.5324	7.98333	23.9601	124
cluster_4.pdb ( medoid)	13.4061	8.35444	28.897	112
cluster_5.pdb ( medoid)	13.3605	9.05654	21.8221	121
cluster_6.pdb ( medoid)	8.0855	11.2547	23.0341	91
cluster_7.pdb ( medoid)	5.76462	8.32666	21.2075	48
cluster_8.pdb ( medoid)	5.21446	7.67098	16.1059	40
cluster_9.pdb ( medoid)	2.65218	17.3442	33.9489	46
cluster_10.pdb ( medoid)	1.36774	9.50471	16.5273	13