CABS-dock: NKNPFHFNSKR

Project name: NKNPFHFNSKR

Status: done

submitted: 2025-02-04 18:16:19, status changed: 2025-02-05 12:10:42

Project settings

Protein sequence(s)	PKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLDLADLQQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTLEHAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLDLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVVTLEH input pdb
Peptide sequence	NKNPFHFNSKR
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCC

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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

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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)	36.4718	3.97567	36.9579	145
cluster_2.pdb ( medoid)	36.1027	3.87783	8.5951	140
cluster_3.pdb ( medoid)	24.5835	3.66099	7.5857	90
cluster_4.pdb ( medoid)	23.8427	6.96231	36.4342	166
cluster_5.pdb ( medoid)	12.9742	9.24913	44.0534	120
cluster_6.pdb ( medoid)	11.1458	6.28041	40.5622	70
cluster_7.pdb ( medoid)	8.20183	9.26623	43.7344	76
cluster_8.pdb ( medoid)	8.18889	10.9905	40.9711	90
cluster_9.pdb ( medoid)	3.65566	16.4129	34.5865	60
cluster_10.pdb ( medoid)	2.55992	16.7974	63.8654	43