CABS-dock: Pacap

Project name: Pacap_Control#2

Status: done

submitted: 2026-04-14 08:01:13, status changed: 2026-04-14 17:47:52

Project settings

Protein sequence(s)

DCIFKKEQAMCLEKIQRANELMGFNDSSPGCPGMWDNITCWKPAHVGEMVLVSCPELFRIFNPDVSRNCTEDGWSEPFPHYFDACGFDEQDYYYLSVKALYTVGYSTSLVTLTTAMVILCRFRKLHCTRNFIHMNLFVSFMLRAISVFIKDWILYAEQDSNHCFISTVECKAVMVFFHYCVVSNYFWLFIEGLYLFTLLVETFFPERRYFYWYTIIGWGTPTVCVTVWATLRLYFDDTGCWDMNDSTALWWVIKGPVVGSIMVNFVLFIGIIVILVQKLQSPDMGGNESSIYLRLARSTLLLIPLFGIHYTVFAFSPENVSKRERLVFELGLGSFQGFVVAVLYCFLNGEVQAEIKRKWRSW input pdb

Peptide sequence

HSDGIFTDSYSRYRKQMAVKKYLAAVL

Simulation mc cycles

Peptide secondary structure psipred

CCCCCCCCCHHHHHHHHHHHHHHHHHC

Contact information

HSDGIFTDSYSRYRKQMAVKKYLAAVL

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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)	65.8312	1.54942	22.3613	102
cluster_2.pdb ( medoid)	23.533	4.75928	19.0338	112
cluster_3.pdb ( medoid)	13.802	7.96988	21.5446	110
cluster_4.pdb ( medoid)	13.3343	8.32438	29.19	111
cluster_5.pdb ( medoid)	12.7569	8.70118	27.755	111
cluster_6.pdb ( medoid)	10.6874	11.696	30.5654	125
cluster_7.pdb ( medoid)	9.35664	12.3976	31.5708	116
cluster_8.pdb ( medoid)	3.19127	13.4743	25.9241	43
cluster_9.pdb ( medoid)	3.03781	13.4966	26.3706	41
cluster_10.pdb ( medoid)	2.39552	12.1059	28.0427	29