CABS-dock: 9331b1d6f5d8a36

Project name: 9331b1d6f5d8a36

Status: done

submitted: 2025-04-22 12:17:23, status changed: 2025-04-22 18:17:45

Project settings

Protein sequence(s)	QPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDSFFKWDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKGGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTK input pdb
Peptide sequence	AAQLDLNTTSNNIAN
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCCCCCC

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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)	32.8139	3.10844	31.9449	102
cluster_2.pdb ( medoid)	32.0469	7.42662	31.8525	238
cluster_3.pdb ( medoid)	19.8913	6.78688	17.1735	135
cluster_4.pdb ( medoid)	12.8723	9.40001	32.0626	121
cluster_5.pdb ( medoid)	11.2812	10.6371	25.5208	120
cluster_6.pdb ( medoid)	10.8662	7.63837	29.4804	83
cluster_7.pdb ( medoid)	10.7374	7.07805	13.5836	76
cluster_8.pdb ( medoid)	8.34044	6.71428	18.894	56
cluster_9.pdb ( medoid)	4.46677	6.26852	23.0753	28
cluster_10.pdb ( medoid)	4.1463	9.88834	16.4567	41