CABS-dock: 68679685663dbf4

Project name: 68679685663dbf4

Status: done

submitted: 2025-04-22 12:19:46, status changed: 2025-04-22 18:22:48

Project settings

Protein sequence(s)	QPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDSFFKWDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKGGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTK input pdb
Peptide sequence	NDEFLLGYEVNPDSG
Simulation mc cycles	50
Peptide secondary structure psipred	CCCEECCEEECCCCC

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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)	24.2415	5.0327	20.2879	122
cluster_2.pdb ( medoid)	22.615	5.262	10.2394	119
cluster_3.pdb ( medoid)	18.9463	5.27807	30.776	100
cluster_4.pdb ( medoid)	17.1552	9.85123	20.3642	169
cluster_5.pdb ( medoid)	14.9667	6.68148	15.1726	100
cluster_6.pdb ( medoid)	14.0406	6.26754	12.06	88
cluster_7.pdb ( medoid)	11.5759	10.7983	27.2469	125
cluster_8.pdb ( medoid)	9.02235	11.9703	25.5558	108
cluster_9.pdb ( medoid)	5.85375	7.34572	16.1209	43
cluster_10.pdb ( medoid)	3.63081	7.16093	15.5421	26