CABS-dock: PIPHA

Project name: PIPHA

Status: done

submitted: 2025-10-09 09:04:07, status changed: 2025-10-09 17:15:53

Project settings

Protein sequence(s)	MIEREYLLAGMWVREHRLSVPLNWFDENDPRRITVFARELSEGGKAAEDLPCLLFLQGGPGGKSPRPTSKGGWLGEALKSFRVILLDQRGTGQSSRIESSVIRNMDVDQPADYLSYFRADSIVADAEHLRKTQFGGRKWSTLGQSFGGFITLTYLSQAPEGLAACYITGGLPSIKPDAEQLYQRTYQKLKEKNQIFFSRYPHLQQQINRIADVLNEQDVYLPDGDILTVQRLQTLGIQLGMSEGYESLLWLFDEAFNHEGELSDTFLSQVMHLTGFTEHPLYAVLHESIYADNRSGATDWAAQRVHDTLPEFQTDCRPLLLTGEMIYPWMFDEMQCLRPFRDAVHQLAQRSEWQPLYDAERLAANTVPVVAAVYYNDMYVDIGLSLETAKHIGNVETWITSEFEHNGLRVGNVFAHLRQMMALRGVN input pdb
Peptide sequence	PGSDLDKKLLE
Simulation mc cycles	50
Peptide secondary structure psipred	CCCHHHHHHHC

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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 3Dmol (WebGL)

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

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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)	32.287	5.35819	16.6211	173
cluster_2.pdb ( medoid)	30.4816	4.39609	13.1223	134
cluster_3.pdb ( medoid)	28.5448	3.15294	7.10115	90
cluster_4.pdb ( medoid)	24.3045	4.48477	26.1441	109
cluster_5.pdb ( medoid)	21.6583	5.77145	23.1223	125
cluster_6.pdb ( medoid)	21.1868	2.92635	6.00753	62
cluster_7.pdb ( medoid)	17.8402	5.71742	27.9103	102
cluster_8.pdb ( medoid)	15.6631	4.78833	8.42551	75
cluster_9.pdb ( medoid)	12.8988	4.34149	27.498	56
cluster_10.pdb ( medoid)	6.31146	11.7247	26.7646	74