CABS-dock: 71f6ec360dd0116

Project name: 71f6ec360dd0116

Status: done

submitted: 2025-05-09 13:21:41, status changed: 2025-05-09 23:41:38

Project settings

Protein sequence(s)	GPVGTVVGIDLGTTYSCVGVFKNGRVEIIANDQGNRITPSYVAFTPEGERLIGDAAKNQLTSNPENTVFDAKRLIGRTWNDPSVQQDIKFLPFKVVEKKTKPYIQVDIGGGQTKTFAPEEISAMVLTKMKETAEAYLGKKVTHAVVTVPAYFNDAQRQATKDAGTIAGLNVMRIINEPTAAAIAYGLDKREGEKNILVFDLGGGTFDVSLLTIDNGVFEVVATNGDTHLGGEDFDQRVMEHFIKLYKKKTGKDVRKDNRAVQKLRREVEKAKRALSSQHQARIEIESFFEGEDFSETLTRAKFEELNMDLFRSTMKPVQKVLEDSDLKKSDIDEIVLVGGSTRIPKIQQLVKEFFNGKEPSRGINPDEAVAYGAAVQAGVLSGDQDTGDLVLLDVC input pdb
Peptide sequence	DMETRAGFIESTFKPGGNKEDSKIISD
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCHHCCCCCCCCCCCCHHHCCCCCC

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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)	29.8073	4.0594	17.8127	121
cluster_2.pdb ( medoid)	25.728	3.34266	6.37666	86
cluster_3.pdb ( medoid)	18.3425	5.56085	23.6363	102
cluster_4.pdb ( medoid)	17.9373	4.96172	33.8798	89
cluster_5.pdb ( medoid)	13.8571	8.37116	29.3406	116
cluster_6.pdb ( medoid)	8.63642	14.5894	40.426	126
cluster_7.pdb ( medoid)	8.54139	9.36616	30.016	80
cluster_8.pdb ( medoid)	8.48794	11.8992	51.2771	101
cluster_9.pdb ( medoid)	6.76315	11.9767	40.32	81
cluster_10.pdb ( medoid)	2.66422	20.2686	50.1689	54