CABS-dock: beb1f4f987e3dae

Project name: beb1f4f987e3dae

Status: done

submitted: 2023-06-02 11:05:22, status changed: 2023-06-03 00:26:11

Project settings

Protein sequence(s)	NDEDQVVVNKAAVMVHQLSKKEASRHAIMRSPQMVSAIVRTMQNTNDVETARCTAGTLHNLSHHREGLLAIFKSGGIPALVKMLGSPVDSVLFYAITTLHNLLLHQEGAKMAVRLAGGLQKMVALLNKTNVKFLAITTDCLQILAYGNQESKLIILASGGPQALVNIMRTYTYEKLLWTTSRVLKVLSVCSSNKPAIVEAGGMQALGLHLTDPSQRLVQNCLWTLRNLSDAATKQEGMEGLLGTLVQLLGSDDINVVTCAAGILSNLTCNNYKNKMMVCQVGGIEALVRTVLRAGDREDITEPAICALRHLTSRHQEAEMAQNAVRLHYGLPVVVKLLHPPSHWPLIKATVGLIRRNLALCPANHAPLREQGAIPRLVQLLVRAHQDTQREGVRMEEIVEGCTGALHILARDVHNRIVIRGLNTIPLFVQLLYSPIENIQRVAAGVLCELAQDKEAAEAIEAEGATAPLTELLHSRNEGVATYAAAVLFRM input pdb
Peptide sequence	CQCRRKNYGQLDIFPARDTYHPMSEYPTYH
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCCCCCCCCCCCCCHHCCCCCC

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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)	32.6998	4.80125	30.3789	157
cluster_2.pdb ( medoid)	28.8557	5.68345	21.0957	164
cluster_3.pdb ( medoid)	17.6902	5.65285	11.0738	100
cluster_4.pdb ( medoid)	15.802	2.91102	5.25538	46
cluster_5.pdb ( medoid)	15.3522	5.21098	9.19178	80
cluster_6.pdb ( medoid)	6.42312	15.1017	45.0942	97
cluster_7.pdb ( medoid)	4.46379	8.28892	50.4326	37
cluster_8.pdb ( medoid)	2.69659	21.1378	49.3883	57
cluster_9.pdb ( medoid)	2.33993	4.70099	8.99238	11
cluster_10.pdb ( medoid)	0.572829	24.4401	46.3104	14