CABS-dock: FDNPVY

Project name: FDNPVY

Status: done

submitted: 2025-05-30 03:13:59, status changed: 2025-05-30 09:28:54

Project settings

Protein sequence(s)	WRREGIKYRRNELFLDVLESVNLLMSPQGQVLSAHVSGRVVMKSYLSGMPECKFGMNDSIAIDDCTFHQCVRLSERSISFIPPDGEFELMRYRTTKDIILPFRVIPLVREVGRTKLEVKVVIKSNFKPSLLAQKIEVRIPTPLNTSGVQVICMKGKAKYKASENAIVWKIKRMAGMKESQISAEIELLPTNDKKKWARPPISMNFEVPFAPSGLKVRYLKVFEPKLNYSDHDVIKWVRYIGRSGIYETRC input pdb
Peptide sequence	FDNPVY
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCC

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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)	38.4673	4.26337	23.5376	164
cluster_2.pdb ( medoid)	23.3337	7.41416	24.9522	173
cluster_3.pdb ( medoid)	13.0516	8.42808	32.4711	110
cluster_4.pdb ( medoid)	10.2331	6.44966	14.4094	66
cluster_5.pdb ( medoid)	9.67799	11.5726	31.5452	112
cluster_6.pdb ( medoid)	8.61679	9.74841	29.5266	84
cluster_7.pdb ( medoid)	8.53451	10.7798	31.2004	92
cluster_8.pdb ( medoid)	8.27076	10.1563	32.3952	84
cluster_9.pdb ( medoid)	5.43773	13.6086	40.6213	74
cluster_10.pdb ( medoid)	2.599	15.7753	39.1793	41