CABS-dock: bfb20cbe3fc4703

Project name: bfb20cbe3fc4703

Status: done

submitted: 2025-04-22 12:10:30, status changed: 2025-04-23 08:06:33

Project settings

Protein sequence(s)	EEHVIIQAEFYLNPDQSGEFMFDFDGDEIFHVDMAKKETVWRLEEFGRFASFEAQGALANIAVDKANLEIMTKRSNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWEFDPKWWWWWWWWWWWVKQNTLKLATGDTRPRFLWQLKFECHFFNGTERVRLLERCIYNQEESVRFDSDVGEYRAVTELGRPDAEYWNSQKDLLEQRRAAVDTYCRHNYGVGESFTVQRRVEPKVTVYPSKTQPLQHHNLLVCSVSGFYPGSIEVRWFRNGQEEKAGVVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRAESQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDSFFKWDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKGGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTKNG input pdb
Peptide sequence	MSYVSLSGLSAAQLD
Simulation mc cycles	50
Peptide secondary structure psipred	CCCEECCCCCHHHCC

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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)	37.1093	5.38948	17.0125	200
cluster_2.pdb ( medoid)	14.3214	13.9651	40.1777	200
cluster_3.pdb ( medoid)	10.6205	13.088	37.7213	139
cluster_4.pdb ( medoid)	8.03547	10.4536	33.1192	84
cluster_5.pdb ( medoid)	6.41898	5.76415	10.9764	37
cluster_6.pdb ( medoid)	5.71608	12.9459	44.3749	74
cluster_7.pdb ( medoid)	5.42413	14.5646	37.6416	79
cluster_8.pdb ( medoid)	3.78305	19.2966	55.8674	73
cluster_9.pdb ( medoid)	2.42326	7.42801	13.0449	18
cluster_10.pdb ( medoid)	1.76522	24.9261	48.6182	44