CABS-dock: project 2

Project name: project 2

Status: done

submitted: 2025-12-14 17:26:16, status changed: 2025-12-15 07:11:20

Project settings

Protein sequence(s)	DIEADHVGTYGISVYQSPGDIGQYTFEFDGDELFYVDLDKKETVWMLPEFGQLASFDPQGGLQNIAVVKHNLGVLTKRSNSTPATNEAPQATVFPKSPVLLGQPNTLICFVDNIFPPVINITWLRNSKSVADGVYETSFFVNRDYSFHKLSYLTFIPSDDDIYDCKVEHWGLEEPVLKHWSSADLPVSKMRMATPLLMQASERHFVYQFMGECYFTNGTQRIRYVTRYIYNREEYVRYDSDVGEHRAVTELGRPDAEYWNSQPEILERTRAELDTVCRHNYEGPETHTSLRRLEQPNVVISLSHNTLVCSVTDFYPAKIKVRWFRNGQEETVGVSSTQLIRNGDWTFQVLVMLEMTPRRGEVYTCHVEHPSLKSPITVEWSSAE input pdb
Peptide sequence	AKTNDTVAKIDISTAKG
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCEEEEECCCCCC

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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)	44.6459	2.28464	19.4818	102
cluster_2.pdb ( medoid)	21.4696	5.26325	29.3679	113
cluster_3.pdb ( medoid)	18.0076	7.88554	23.0757	142
cluster_4.pdb ( medoid)	15.6078	6.40707	25.9779	100
cluster_5.pdb ( medoid)	15.2098	6.96917	29.9282	106
cluster_6.pdb ( medoid)	13.5972	7.35444	23.1192	100
cluster_7.pdb ( medoid)	11.8887	8.83195	26.2696	105
cluster_8.pdb ( medoid)	7.82716	9.32649	37.1517	73
cluster_9.pdb ( medoid)	7.03007	10.2417	20.5262	72
cluster_10.pdb ( medoid)	6.36263	13.6736	31.4067	87