CABS-dock: GHSR-Kiss1

Project name: GHSR-Kiss1

Status: done

submitted: 2026-05-30 18:15:09, status changed: 2026-05-31 22:24:33

Project settings

Protein sequence(s)	DLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYLPAPLLAGVTATCVALFVVGIAGNLLTMLVVSRFRELRTTTNLYLSSMAFSDLLIFLCMPLDLVRLWQYRPWNFGDLLCKLFQFVSESCTYAKVLTITALSVERYFAICFPLRAKVVVTKGRVKLVIFVIWAVAFCSAGPIFVLVGVEHEQGTDPWDTNECRPTEFAVRSGLLTVMVWVSSIFFFLPVFCLTVLYSLIGRKLWRRRRGDAVVGASLRDQNHKQTVKMLAVVVFAFILCWLPFHVGRYLFSKSFEPSQYCNLVSFVLFYLSAAINPILYNIMSKKYRVAVFRLLGEVQLQQSGAELVRPGASVKLSCKASGYTFTDYEMHWVKQTPVHGLEWIGAIDPETGGTVYNQKFKGKATLTADISSTTAYMELRSLTSEDSAVYFCISEDIDESKDYWGQGTTLTVSSAKTTAPSVYPLAPVCGDTSGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPRDIVMTQSPSSLAVSAGEKVTLSCKSSQSLFNSRTRKNYLAWYQQKPGLSPTLLIYWASTRKSGVPDRFTGSGSGTDFTLTITSVQAEDLAVYYCKQSYYLRTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC input pdb
Peptide sequence	AHDFK
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCC

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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

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)	33.561	6.34665	31.7883	213
cluster_2.pdb ( medoid)	19.6739	4.87956	25.6309	96
cluster_3.pdb ( medoid)	17.6493	10.1987	44.2857	180
cluster_4.pdb ( medoid)	11.282	8.24323	34.7594	93
cluster_5.pdb ( medoid)	11.1521	5.11116	12.5289	57
cluster_6.pdb ( medoid)	6.28845	14.1529	56.117	89
cluster_7.pdb ( medoid)	4.81172	8.10522	34.7689	39
cluster_8.pdb ( medoid)	4.55129	11.4253	30.3305	52
cluster_9.pdb ( medoid)	1.27502	27.4506	59.1234	35
cluster_10.pdb ( medoid)	1.24821	28.0401	54.1384	35