CABS-dock: G3BP-TMP22

Project name: G3BP-TMP22

Status: done

submitted: 2026-04-20 13:06:54, status changed: 2026-04-20 19:39:10

Project settings

Protein sequence(s)	SMVMEKPSPLLVGREWVRQYYTLLNQAPDMLHRWYGKNSSYVHGGLDSNGKPADAVYGQKEIHRKVMSQNFTNCHTKIRHVDAHATLNDGVVVQVMGLLSNNNQALRRFMQTFVLAPEGSVANKWYVHNDIFRYQDEVFMVMEKPSPLLVGREWVRQYYTLLNQAPDMLHRWYGKNSSYVHGGLDSPADAVYGQKEIHRKVMSQNFTNCHTKIRHVDAHATLNDGVVVQVMGLLSNNNQALRRFMQTFVLAPWYVHNDIFRYQDEVF input pdb
Peptide sequence	GRKKRRQRRRRGGVDKDRVKQMK
Simulation mc cycles	50
Peptide secondary structure psipred	CCHHHHHHHHCCCCCHHHHHHCC

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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)	23.8101	6.59384	26.3881	157
cluster_2.pdb ( medoid)	22.5032	4.62155	18.8384	104
cluster_3.pdb ( medoid)	12.5372	4.14766	27.6881	52
cluster_4.pdb ( medoid)	12.0085	13.9068	29.3366	167
cluster_5.pdb ( medoid)	10.8688	11.8688	39.208	129
cluster_6.pdb ( medoid)	8.69699	11.4982	33.2892	100
cluster_7.pdb ( medoid)	7.39528	10.5473	37.176	78
cluster_8.pdb ( medoid)	7.18369	9.18748	31.0522	66
cluster_9.pdb ( medoid)	6.10457	15.8897	42.3634	97
cluster_10.pdb ( medoid)	3.61203	13.8426	39.6338	50