CABS-dock: 43cd60dd022e625

Project name: 43cd60dd022e625

Status: done

submitted: 2025-05-10 08:48:50, status changed: 2025-05-10 17:35:41

Project settings

Protein sequence(s)	MEKKDNLSNSENINIESIGPSTDDLKNRFKAESIPLQTDYSDLIDIADIGRKATGQAFGQTPSQDPTLELDSNDLLIVKIDPDGGLKRSIKGLGIKLTDSDQTKTGLSLTSSGLKVDSGLGIILTEGHGVSIQLTDSNDQTNTGLFLTTDGLRVDPGKGIKLETGHGVSVGEGNGIQVNPDDIAVKPKTNGGISVDTDGVSVKLKPNSGINVDTDGISIRSSNGIITNADGVSVKPKPNSGISANADGVSVLCWEGGGIRVTDSTGIYLKLEGGDTSGSSGTSGLSLSTNGVKVKAGNGINVDTSGVSIKLANSDQTLTGLSLTSSGLQVDDGLGIVLTKDHGISVGAGNGIQVNTNNVAVKAKTNGGIKVDQDGVSVDIQSIASALANLIIPSGTIVPFYSNGSLPNGWVWCDGSNGTPDLNTNRNGHDSGDNINLISGWGDIHTDFWQLGSGKHIAANIYYMRYIMKK input pdb
Peptide sequence	QWKIHR
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 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)	18.1627	7.10247	35.2204	129
cluster_2.pdb ( medoid)	14.5743	10.0176	44.6888	146
cluster_3.pdb ( medoid)	13.1357	14.9973	42.4687	197
cluster_4.pdb ( medoid)	5.68301	15.6607	36.5543	89
cluster_5.pdb ( medoid)	5.61487	13.1793	36.459	74
cluster_6.pdb ( medoid)	5.00364	15.1889	37.8656	76
cluster_7.pdb ( medoid)	3.69961	17.2991	42.5774	64
cluster_8.pdb ( medoid)	3.58194	16.4715	35.5471	59
cluster_9.pdb ( medoid)	2.84647	12.9985	32.0889	37
cluster_10.pdb ( medoid)	2.55502	11.3502	22.3153	29