CABS-dock: 21aa6ce331606df

Project name: 21aa6ce331606df

Status: done

submitted: 2026-02-26 08:46:11, status changed: 2026-02-26 15:34:58

Project settings

Protein sequence(s)	VKDFLSQLRSSNRRFSIPESGQGGTEMDGFRRTIENQHSRNDVMVSEWLNKLNLEEPPSSVPKKCPSLTKRSRAQEEQVPQAWTAGTSSDSMAQPPQTPETSTFRNQMPSPTSTGTPSPGPRGNQGAERQGMNWSCRTPEPNPVTGRPLVNIYNCSGVQVGDNNYLTMQQTTALPTWGLAPSGKGRGLQHPPPVGSQEGPKDPEAWSRPQGWYNHSGK input pdb
Peptide sequence	VQVFGSNCY
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)	20.8931	7.56232	24.4243	158
cluster_2.pdb ( medoid)	17.2324	7.42789	47.5178	128
cluster_3.pdb ( medoid)	16.7597	6.62304	33.2878	111
cluster_4.pdb ( medoid)	8.59781	15.469	47.2717	133
cluster_5.pdb ( medoid)	6.49563	11.5462	21.3051	75
cluster_6.pdb ( medoid)	6.29515	15.2498	35.8717	96
cluster_7.pdb ( medoid)	5.70861	14.0139	34.5941	80
cluster_8.pdb ( medoid)	4.95217	17.9719	48.5081	89
cluster_9.pdb ( medoid)	4.50736	19.0799	53.3296	86
cluster_10.pdb ( medoid)	3.10395	14.1755	35.0296	44