CABS-dock: XPO1 & PKIα extended

Project name: XPO1 & PKIα extended

Status: done

submitted: 2026-07-15 00:02:22, status changed: 2026-07-15 06:05:25

Project settings

Protein sequence(s)	ISGAMHEEDEKRFLVTVIKDLLGLCEQKRGKDNKAIIASNIMYIVGQYPRFLRAHWKFLKTVVNKLFEFMHETHDGVQDMACDTFIKIAQKCRRHFVQVQVGEVMPFIDEILNNINTIICDLQPQQV input pdb
Peptide sequence	QKLALKLAGLDIVKD
Simulation mc cycles	100
Peptide secondary structure psipred	CCCHHHHCCCCCCCC

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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)	40.4517	3.41148	10.6904	138
cluster_2.pdb ( medoid)	35.3356	3.48091	14.1203	123
cluster_3.pdb ( medoid)	34.6888	3.9494	27.1115	137
cluster_4.pdb ( medoid)	29.0728	4.78111	10.3506	139
cluster_5.pdb ( medoid)	21.762	6.80084	16.0919	148
cluster_6.pdb ( medoid)	16.2028	5.18429	12.0951	84
cluster_7.pdb ( medoid)	13.9067	5.17734	11.6873	72
cluster_8.pdb ( medoid)	12.5739	4.7718	10.9515	60
cluster_9.pdb ( medoid)	11.3193	5.65408	14.3294	64
cluster_10.pdb ( medoid)	7.67479	4.56038	8.36852	35