CABS-dock: S4DN1

Project name: S4DN1

Status: done

submitted: 2026-06-10 13:23:26, status changed: 2026-06-10 18:32:05

Project settings

Protein sequence(s)	KLPAHGCRHVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGIEALTLYAFSSENWNRPAQEVSALMELFVWALDSEVKSLHRHNVRLRIIGDTSRFNSRLQERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQGNLQPDQIDEEMLNQHVCMHELAPVDLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEGALNAFANRE input pdb
Peptide sequence	LLFPG
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 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)	59.2672	2.09222	17.6636	124
cluster_2.pdb ( medoid)	33.0554	3.75128	8.74734	124
cluster_3.pdb ( medoid)	17.0698	9.43185	33.3474	161
cluster_4.pdb ( medoid)	15.6734	11.1654	38.1249	175
cluster_5.pdb ( medoid)	14.8606	5.65253	24.9363	84
cluster_6.pdb ( medoid)	14.5192	7.64505	23.8736	111
cluster_7.pdb ( medoid)	9.23183	7.2575	25.9939	67
cluster_8.pdb ( medoid)	8.81095	4.88029	8.89817	43
cluster_9.pdb ( medoid)	7.34363	8.71504	25.4352	64
cluster_10.pdb ( medoid)	3.16455	14.852	32.0953	47