CABS-dock: 7044b48c1149e9f

Project name: 7044b48c1149e9f

Status: done

submitted: 2025-04-22 12:15:26, status changed: 2025-04-22 18:23:24

Project settings

Protein sequence(s)	AESQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDSFFKWDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKGGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTKNG input pdb
Peptide sequence	NDEFLLGYEVNPDSG
Simulation mc cycles	50
Peptide secondary structure psipred	CCCEECCEEECCCCC

Re-submit project

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)	26.3501	4.85767	29.2176	128
cluster_2.pdb ( medoid)	20.6265	6.88435	23.5877	142
cluster_3.pdb ( medoid)	15.4889	8.26399	34.8823	128
cluster_4.pdb ( medoid)	13.9457	12.6921	37.1426	177
cluster_5.pdb ( medoid)	12.8257	8.10875	21.7424	104
cluster_6.pdb ( medoid)	9.6402	9.54337	27.9405	92
cluster_7.pdb ( medoid)	8.25042	10.3025	30.5792	85
cluster_8.pdb ( medoid)	5.30616	8.48071	29.5561	45
cluster_9.pdb ( medoid)	5.21841	7.85679	17.2491	41
cluster_10.pdb ( medoid)	4.4095	13.1534	31.5483	58