CABS-dock: D3DN36

Project name: D3DN36_UPPS

Status: done

submitted: 2026-06-12 15:59:18, status changed: 2026-06-12 20:25:57

Project settings

Protein sequence(s)	KLPAHGCRHVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGIEALTLYAFSSENWNRPAQEVSALMELFVWALDSEVKSLHRHNVRLRIIGDTSRFNSRLQERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQGNLQPDQIDEEMLNQHVCMHELAPVDLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEGALNAFANRE input pdb
Peptide sequence	QNPFPK
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCC

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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)	46.7876	1.60299	5.01887	75
cluster_2.pdb ( medoid)	43.6059	1.81168	28.4399	79
cluster_3.pdb ( medoid)	38.9677	4.13162	29.3466	161
cluster_4.pdb ( medoid)	37.5526	5.13945	23.5537	193
cluster_5.pdb ( medoid)	24.2892	7.12251	26.4776	173
cluster_6.pdb ( medoid)	12.6058	3.25247	23.1787	41
cluster_7.pdb ( medoid)	7.33026	9.00378	29.1316	66
cluster_8.pdb ( medoid)	6.67301	16.1846	36.3031	108
cluster_9.pdb ( medoid)	4.51524	13.5098	41.8107	61
cluster_10.pdb ( medoid)	4.28748	10.0292	30.2311	43