CABS-dock: d99001cc39d8ddf

Project name: d99001cc39d8ddf

Status: done

submitted: 2026-06-13 08:04:17, status changed: 2026-06-13 18:18:15

Project settings

Protein sequence(s)	VSLWETVQKWREYRRQCQRSLTEDPPPATDLFCNRTFDEYACWPDGEPGSFVNVSCPWYLPWASSVPQGHVYRFCTAEGLWLQKDNSSLPWRDLSECEESSPEEQLLFLYYIYTVGYALSFSALVIASAILLGFRHLHCTRNYIHLNLFASFILRALSVFIKDAALKWMYSTRAQQHEWDGLLRYQDSLSCRLVFLLMQYCVAANYYWLLVEGVYLYTLLAFSVASEQWIFRLYVSIGWGVPLLFVVPWGIVKYLAEDEGCWTRNSNMNYWLIIRLPILFAIGVNFLIFVRVICIVVSKLKANTDIQCRLAKSTLTLIPLLGTHEVIFAFVMDEHARGTLRFIKLFTELSFTSFQGLMVAILYCFVNNEVQLEFRKSWERWR input pdb
Peptide sequence	YAEGTFISDYSIAMDKIHQQDFVNWLLAQ
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCEECCHHHHHHHHHHHHHHHHHHCC

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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)	27.3832	2.04505	16.9476	56
cluster_2.pdb ( medoid)	26.4368	1.92913	13.4909	51
cluster_3.pdb ( medoid)	21.0628	5.17501	33.8322	109
cluster_4.pdb ( medoid)	16.62	6.91936	22.1127	115
cluster_5.pdb ( medoid)	16.1687	4.20565	11.2972	68
cluster_6.pdb ( medoid)	14.6894	13.9556	30.1614	205
cluster_7.pdb ( medoid)	12.9231	13.3095	44.2489	172
cluster_8.pdb ( medoid)	4.40128	13.6324	23.5501	60
cluster_9.pdb ( medoid)	4.24285	8.72054	17.0861	37
cluster_10.pdb ( medoid)	3.13035	8.62524	19.3116	27