CABS-dock: fa3e6a8e07f9773

Project name: fa3e6a8e07f9773

Status: done

submitted: 2025-05-10 08:48:31, status changed: 2025-05-10 17:35:50

Project settings

Protein sequence(s)	MEKKDNLSNSENINIESIGPSTDDLKNRFKAESIPLQTDYSDLIDIADIGRKATGQAFGQTPSQDPTLELDSNDLLIVKIDPDGGLKRSIKGLGIKLTDSDQTKTGLSLTSSGLKVDSGLGIILTEGHGVSIQLTDSNDQTNTGLFLTTDGLRVDPGKGIKLETGHGVSVGEGNGIQVNPDDIAVKPKTNGGISVDTDGVSVKLKPNSGINVDTDGISIRSSNGIITNADGVSVKPKPNSGISANADGVSVLCWEGGGIRVTDSTGIYLKLEGGDTSGSSGTSGLSLSTNGVKVKAGNGINVDTSGVSIKLANSDQTLTGLSLTSSGLQVDDGLGIVLTKDHGISVGAGNGIQVNTNNVAVKAKTNGGIKVDQDGVSVDIQSIASALANLIIPSGTIVPFYSNGSLPNGWVWCDGSNGTPDLNTNRNGHDSGDNINLISGWGDIHTDFWQLGSGKHIAANIYYMRYIMKK input pdb
Peptide sequence	MQKEWQ
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCC

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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

Download all files

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)	18.6715	8.72989	31.3648	163
cluster_2.pdb ( medoid)	17.3471	9.5693	31.8216	166
cluster_3.pdb ( medoid)	14.2594	11.922	31.6545	170
cluster_4.pdb ( medoid)	6.09598	20.0132	44.923	122
cluster_5.pdb ( medoid)	5.65708	14.1416	38.2923	80
cluster_6.pdb ( medoid)	4.61667	12.1299	28.1513	56
cluster_7.pdb ( medoid)	4.44578	13.9458	33.7319	62
cluster_8.pdb ( medoid)	4.35157	13.0987	25.6784	57
cluster_9.pdb ( medoid)	3.92662	17.3177	41.1933	68
cluster_10.pdb ( medoid)	3.85988	14.5082	30.9161	56