CABS-dock: a7ff643b5b4e16f

Project name: a7ff643b5b4e16f

Status: done

submitted: 2025-04-15 09:46:53, status changed: 2025-04-15 11:14:46

Project settings

Protein sequence(s)	RLKSSCKRHPLYVDFSDVGWNDWIVAPPGYHAFYCHGECPFPLADHLNSTNHAIVQTLVNSVNSKIPKACCVPTELSAISMLYLDENEKVVLKNYQDMVVEGCGCR input pdb
Peptide sequence	TKLPGCWDV
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCC

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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)	61.1709	1.87998	7.62491	115
cluster_2.pdb ( medoid)	30.9939	5.25909	11.7667	163
cluster_3.pdb ( medoid)	29.8684	5.18943	16.3948	155
cluster_4.pdb ( medoid)	28.8413	3.7793	9.02848	109
cluster_5.pdb ( medoid)	25.8888	2.58799	7.82752	67
cluster_6.pdb ( medoid)	24.2439	4.70222	12.3637	114
cluster_7.pdb ( medoid)	21.1935	2.50077	10.3582	53
cluster_8.pdb ( medoid)	18.7487	5.22704	9.70384	98
cluster_9.pdb ( medoid)	17.3739	4.4895	10.6448	78
cluster_10.pdb ( medoid)	10.4907	4.57547	10.7554	48