CABS-dock: LVTLGARQSSHPVTPGSPMFRYKKRLQLSL

Project name: LVTLGARQSSHPVTPGSPMFRYKKRLQLSL_FAPdock

Status: done

submitted: 2025-10-07 22:04:44, status changed: 2025-10-08 03:20:11

Project settings

Protein sequence(s)	IQLPKEEIKKLEVDEITLWYKMILPPQFDRSKKYPLLIQVYGGPCSQSVRSVFAVNWISYLASKEGMVIALVDGRGTAFQGDKLLYAVYRKLGVYEVEDQITAVRKFIEMGFIDEKRIAIWGWSYGGYVSSLALASGTGLFKCGIAVAPVSSWEYYASVYTERFMGLPTKDDNLEHYKNSTVMARAEYFRNVDYLLIHGTADDNVHFQNSAQIAKALVNAQVDFQAMWYSDQNHGLSGLSTNHLYTHMTHFLKQCFS input pdb
Peptide sequence	LVTLGARQSSHPVTPGSPMFRYKKRLQLSL
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCCCCCCCCCCEEEEEHHCCCC

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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

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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)	44.2937	2.28023	9.13307	101
cluster_2.pdb ( medoid)	27.0454	3.91934	19.5465	106
cluster_3.pdb ( medoid)	22.4178	7.62788	25.8616	171
cluster_4.pdb ( medoid)	20.933	4.72937	25.3409	99
cluster_5.pdb ( medoid)	19.5158	5.27776	22.5699	103
cluster_6.pdb ( medoid)	11.7397	16.1845	30.5956	190
cluster_7.pdb ( medoid)	6.57998	12.3101	22.1066	81
cluster_8.pdb ( medoid)	5.88116	12.5826	27.7956	74
cluster_9.pdb ( medoid)	4.14904	15.1842	30.155	63
cluster_10.pdb ( medoid)	1.07117	11.2027	22.3846	12