CABS-dock: LVLLGGDIHAYPYSPTSSMAEFPYRLRKLL

Project name: LVLLGGDIHAYPYSPTSSMAEFPYRLRKLL_FAPdock

Status: done

submitted: 2025-10-07 22:05:28, status changed: 2025-10-08 03:21:39

Project settings

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

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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)	55.9959	1.78584	3.03106	100
cluster_2.pdb ( medoid)	55.8742	2.89937	7.29622	162
cluster_3.pdb ( medoid)	20.6963	2.12598	3.3126	44
cluster_4.pdb ( medoid)	17.2176	5.80801	10.8284	100
cluster_5.pdb ( medoid)	15.2908	8.30564	15.1869	127
cluster_6.pdb ( medoid)	14.0253	7.70038	18.0129	108
cluster_7.pdb ( medoid)	11.9563	9.45111	28.8777	113
cluster_8.pdb ( medoid)	11.7474	4.767	8.689	56
cluster_9.pdb ( medoid)	7.38813	12.317	31.0835	91
cluster_10.pdb ( medoid)	6.48751	15.2601	31.2948	99