CABS-dock: 79bfa4650ebc7ad

Project name: 79bfa4650ebc7ad

Status: done

submitted: 2025-05-19 16:40:56, status changed: 2025-05-20 00:32:14

Project settings

Protein sequence(s)	GRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTAFFAQLQLDEETGEFL input pdb
Peptide sequence	WYDNEFG
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCC

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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)	31.9639	4.56766	25.0593	146
cluster_2.pdb ( medoid)	24.0017	5.37462	36.7919	129
cluster_3.pdb ( medoid)	21.0098	6.85396	38.9592	144
cluster_4.pdb ( medoid)	14.4079	8.05114	27.4718	116
cluster_5.pdb ( medoid)	14.2562	9.39943	37.6006	134
cluster_6.pdb ( medoid)	5.91583	13.523	41.0248	80
cluster_7.pdb ( medoid)	5.49738	12.7333	36.2839	70
cluster_8.pdb ( medoid)	5.46068	13.0021	38.0301	71
cluster_9.pdb ( medoid)	4.9336	12.3642	30.5248	61
cluster_10.pdb ( medoid)	3.42149	14.3213	30.9855	49