CABS-dock: A5HTU8-PEP2

Project name: A5HTU8-PEP2

Status: done

submitted: 2026-06-12 16:24:30, status changed: 2026-06-12 21:38:00

Project settings

Protein sequence(s)	GSHSMRYFSTAVSRPGLGEPRYLEVGYVDDTQFVRFDSDAPDPKMEQRAPWMEQVGPEYWDQETRRAKGNAQTFRVSLNNLRGYYNQSEAGSHTLQWMYGCDVGTDGRLLRGFMQYGYDGRDYIALNEDLRSWTAAETEAQITKRKWEKEGAAEARRNYLEGRCVEWLHRYLEIGKDTLQRSDPPKAHVTHHPISDREVTLRCWALGFYPEEISLTWQRSGEDQTQDMELVETRPSGDGTFQKWVALVVPSGEEQRYTCHVQHEGLQEPLTLRWEP input pdb
Peptide sequence	GKPGH
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)	60.7884	2.89529	10.904	176
cluster_2.pdb ( medoid)	41.6054	4.06197	20.4884	169
cluster_3.pdb ( medoid)	27.4334	2.91616	10.1395	80
cluster_4.pdb ( medoid)	22.7228	5.94118	35.7258	135
cluster_5.pdb ( medoid)	14.6626	4.91046	13.7661	72
cluster_6.pdb ( medoid)	14.2366	6.11101	26.5265	87
cluster_7.pdb ( medoid)	8.9626	13.2774	41.962	119
cluster_8.pdb ( medoid)	8.24862	8.6075	27.5081	71
cluster_9.pdb ( medoid)	8.03982	5.97028	10.6484	48
cluster_10.pdb ( medoid)	7.9715	5.39422	16.4157	43