CABS-dock: LAELGGRFFSHPELSKSALYRDALPLRIQL

Project name: LAELGGRFFSHPELSKSALYRDALPLRIQL_FAPdock

Status: done

submitted: 2025-10-07 22:04:53, status changed: 2025-10-08 03:21:29

Project settings

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

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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)	29.0177	3.44618	10.6079	100
cluster_2.pdb ( medoid)	25.5924	5.07964	20.5122	130
cluster_3.pdb ( medoid)	24.6118	8.57313	23.4374	211
cluster_4.pdb ( medoid)	23.8673	2.13681	10.552	51
cluster_5.pdb ( medoid)	19.9638	5.00907	9.91639	100
cluster_6.pdb ( medoid)	12.4235	6.5199	18.2738	81
cluster_7.pdb ( medoid)	11.6472	4.89389	13.2752	57
cluster_8.pdb ( medoid)	11.2376	12.8141	36.4734	144
cluster_9.pdb ( medoid)	6.12694	13.71	30.7232	84
cluster_10.pdb ( medoid)	4.6806	8.97321	16.8182	42