CABS-dock: e968dddf9798693

Project name: e968dddf9798693

Status: done

submitted: 2026-01-16 18:24:16, status changed: 2026-01-17 02:52:40

Project settings

Protein sequence(s)	HQPGENCQNKCGNITIEYPFGISSGCYYPGNESFSITCKEDRPHVLSDIEVANFNHSGQLQVLLNRSSTCYDEQGKKTEEDSSFTLENLSLSANNKLTAVGCNALSLLDTFGMQNYSTACLSLCDSPPEADGECNGRGCCRVDVSAPLDSYTFETTSGRIKHMTSFHDFSPCTYAFLVEDDKFNFSSTEDLLNLRNVMRFPVLLDWSVGNQTCEQVGSTSICGGNSTCLDSTPRNGYICRCNEGFDGNPYLSAGCQDVNECTTSSTIHRHNCSDPKTCRNKVGGFYCKCQSGYRLDTTTMSCKRKEF input pdb
Peptide sequence	KDVNFGTPDSTVQNPQDASKPNDSQ
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCCCCCHHHCCCCCCCC

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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)	20.9312	9.12515	27.6036	191
cluster_2.pdb ( medoid)	19.6228	6.98166	24.3111	137
cluster_3.pdb ( medoid)	14.6742	5.58805	18.7068	82
cluster_4.pdb ( medoid)	13.3749	10.3926	27.4325	139
cluster_5.pdb ( medoid)	12.5153	5.99266	13.5978	75
cluster_6.pdb ( medoid)	12.3071	6.82534	15.0361	84
cluster_7.pdb ( medoid)	10.3874	9.53074	18.4119	99
cluster_8.pdb ( medoid)	7.21417	12.3368	24.715	89
cluster_9.pdb ( medoid)	6.71592	6.7005	18.17	45
cluster_10.pdb ( medoid)	5.77919	10.209	21.1942	59