CABS-dock: a54d0a68a5a0147

Project name: a54d0a68a5a0147

Status: done

submitted: 2026-04-14 05:29:18, status changed: 2026-04-14 14:23:25

Project settings

Protein sequence(s)	MNQIQTMRVFVCVAELQSFRRAARKLGVSNALVTRSIAMLETHLNTRLIHRTTRNLSLTEAGIRYLDGCRALLEEFDQLEASVERAVHEPVGTLRVAVSGLLSPGRITPLVDSYRRQYPKVRVQLTLTEGQLDVIEAGYDAGLVTGGRLDGNPALIGHPLMPNTLALCAAPSYIERHGAPHRPDDLIRHACIALPAGQHASTWRFVDPDHFTHVVSLQPVYTVNSASMVRAATLAGTGISVLPESYIADALESGELVRILGDYRIDDPDTQLSIVYPNRQFLPARTRSFVEHALYHLGGQKTETNGHYFMREAGTAKRPDVVAGLQ input pdb
Peptide sequence	DALEIYVDDEK
Simulation mc cycles	50
Peptide secondary structure psipred	CCEEEEECCCC

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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)	22.8061	2.49933	10.547	57
cluster_2.pdb ( medoid)	18.8971	4.65681	14.5932	88
cluster_3.pdb ( medoid)	16.0001	4.62498	10.0482	74
cluster_4.pdb ( medoid)	14.1402	9.83016	42.4506	139
cluster_5.pdb ( medoid)	13.7082	10.0669	21.9983	138
cluster_6.pdb ( medoid)	8.9594	8.81755	25.8724	79
cluster_7.pdb ( medoid)	8.24755	5.09242	17.9116	42
cluster_8.pdb ( medoid)	6.51856	12.8863	28.6986	84
cluster_9.pdb ( medoid)	5.02138	10.5549	26.0199	53
cluster_10.pdb ( medoid)	4.87959	10.8616	23.9579	53