CABS-dock: D4DN22

Project name: D4DN22_UPPS

Status: done

submitted: 2026-06-14 06:34:45, status changed: 2026-06-14 11:22:31

Project settings

Protein sequence(s)	KLPAHGCRHVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGIEALTLYAFSSENWNRPAQEVSALMELFVWALDSEVKSLHRHNVRLRIIGDTSRFNSRLQERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQGNLQPDQIDEEMLNQHVCMHELAPVDLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEGALNAFANRE input pdb
Peptide sequence	PYPLLP
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)	52.8522	5.84649	18.9567	309
cluster_2.pdb ( medoid)	31.295	4.18597	11.1904	131
cluster_3.pdb ( medoid)	27.4372	3.68114	6.6063	101
cluster_4.pdb ( medoid)	16.0413	7.23132	21.6079	116
cluster_5.pdb ( medoid)	15.5026	5.80547	22.1023	90
cluster_6.pdb ( medoid)	12.3533	6.79979	28.0833	84
cluster_7.pdb ( medoid)	5.66395	9.71054	31.6009	55
cluster_8.pdb ( medoid)	5.32586	8.6371	21.2373	46
cluster_9.pdb ( medoid)	4.55464	8.5627	27.6781	39
cluster_10.pdb ( medoid)	3.49783	8.29085	25.1855	29