CABS-dock: 7d4f00af846dbbf

Project name: 7d4f00af846dbbf

Status: done

submitted: 2025-04-21 10:50:32, status changed: 2025-04-21 17:19:01

Project settings

Protein sequence(s)	MVEKIRMYIGVLSYKKEGREGQKGTGCIFSYKGKWFLATAAHCVYDIDEDKFYTDFKFTQPNSGKEYILGDVYLHKFWSSLYAPEYDIAFFNIYCDDNFFNLDRTYLTPYFEISNDNKFTIAGFPGKILRNKLYIKRDNNGISDRMYSSSLIGIRTCKKEGMSGGPLICQNEDSLSIVGTISLSFVSEKGILWCAPWNKDFKAILEFLTSDKQAEPDFMEMYNWKI input pdb
Peptide sequence	SKNILSLQQLKVKENTKLMAKSS
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCHHHEECHHHHHHCCCCC

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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)	46.0878	2.19147	29.4881	101
cluster_2.pdb ( medoid)	31.0468	3.28536	19.4076	102
cluster_3.pdb ( medoid)	27.6551	6.18331	26.2512	171
cluster_4.pdb ( medoid)	16.1885	9.0805	25.8837	147
cluster_5.pdb ( medoid)	13.1211	8.30724	27.6961	109
cluster_6.pdb ( medoid)	11.9611	8.02605	20.8157	96
cluster_7.pdb ( medoid)	8.47375	9.91296	21.7516	84
cluster_8.pdb ( medoid)	7.38095	6.90968	25.7044	51
cluster_9.pdb ( medoid)	4.53052	15.23	41.3698	69
cluster_10.pdb ( medoid)	4.315	16.2225	31.0856	70