CABS-dock: 9f5ba3ea5f29812

Project name: 9f5ba3ea5f29812

Status: done

submitted: 2025-02-05 07:00:06, status changed: 2025-02-05 15:42:15

Project settings

Protein sequence(s)	MNGTEGPNFYVPFSNKTGVVRSPFEAPQYYLAEPWQFSMLAAYMFLLIMLGFPINFLTLYVTVQHKKLRTPLNYILLNLAVADLFMVFGGFTTTLYTSLHGYFVFGPTGCNLEGFFATLGGEIALWSLVVLAIERYVVVCKPMSNFRFGENHAIMGVAFTWVMALACAAPPLVGWSRYIPEGMQCSCGIDYYTPHEETNNESFVIYMFVVHFIIPLIVIFFCYGQLVFTVKEAAAQQQESATTQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQGSDFGPIFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTTLCCGKNPLGDDEASTTVSKTETSQVAPA input pdb
Peptide sequence	HSQGTFTSDYSKYLDSRRAQDFVQWLMNT
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCHHHHHHHHHHHHHHHHHHHCC

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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)	71.139	1.44787	14.506	103
cluster_2.pdb ( medoid)	29.5308	3.79265	28.7112	112
cluster_3.pdb ( medoid)	25.9579	3.89092	17.5743	101
cluster_4.pdb ( medoid)	24.3312	4.52094	20.1687	110
cluster_5.pdb ( medoid)	22.5011	4.75531	15.8971	107
cluster_6.pdb ( medoid)	13.0456	8.89188	30.1286	116
cluster_7.pdb ( medoid)	7.38645	13.4029	30.1641	99
cluster_8.pdb ( medoid)	5.22686	6.50486	14.5049	34
cluster_9.pdb ( medoid)	2.82062	3.54532	5.08263	10
cluster_10.pdb ( medoid)	0.746463	10.7172	18.5731	8