CABS-dock: 9c28dae48ca8ac6

Project name: 9c28dae48ca8ac6

Status: done

submitted: 2024-07-15 08:14:29, status changed: 2024-07-15 10:18:08

Project settings

Protein sequence(s)	LRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQE input pdb
Peptide sequence	MLIVWMCVIVY
Simulation mc cycles	50
Peptide secondary structure psipred	CEEEEEEEEEC

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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

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)	26.0044	5.99898	21.8865	156
cluster_2.pdb ( medoid)	25.9564	5.08546	26.0179	132
cluster_3.pdb ( medoid)	22.956	4.18192	23.0826	96
cluster_4.pdb ( medoid)	22.4645	6.49915	21.5998	146
cluster_5.pdb ( medoid)	15.9484	4.38916	20.6808	70
cluster_6.pdb ( medoid)	15.069	4.4462	10.2398	67
cluster_7.pdb ( medoid)	14.3764	4.52131	8.69265	65
cluster_8.pdb ( medoid)	14.171	9.66764	25.4659	137
cluster_9.pdb ( medoid)	6.76364	11.5323	28.6869	78
cluster_10.pdb ( medoid)	6.03147	8.78724	21.0546	53