CABS-dock: a841bcce9993d8f

Project name: a841bcce9993d8f

Status: done

submitted: 2026-03-15 13:40:39, status changed: 2026-03-15 20:26:54

Project settings

Protein sequence(s)	VKDFLSQLRSSNRRFSIPESGQGGTEMDGFRRTIENQHSRNDVMVSEWLNKLNLEEPPSSVPKKCPSLTKRSRAQEEQVPQAWTAGTSSDSMAQPPQTPETSTFRNQMPSPTSTGTPSPGPRGNQGAERQGMNWSCRTPEPNPVTGRPLVNIYNCSGVQVGDNNYLTMQQTTALPTWGLAPSGKGRGLQHPPPVGSQEGPKDPEAWSRPQGWYNHSGK input pdb
Peptide sequence	RQIKIWFQNRRMKWKKGGVQVFGSNTY
Simulation mc cycles	50
Peptide secondary structure psipred	CCEEEEEECCCCCEEECCEEEECCCCC

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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)	23.4875	4.7685	22.8538	112
cluster_2.pdb ( medoid)	21.6769	5.39745	31.6123	117
cluster_3.pdb ( medoid)	16.7739	7.33283	36.8442	123
cluster_4.pdb ( medoid)	15.8611	8.51139	33.1602	135
cluster_5.pdb ( medoid)	11.4298	10.6738	30.9209	122
cluster_6.pdb ( medoid)	7.26099	13.0836	27.7587	95
cluster_7.pdb ( medoid)	5.60385	14.8112	32.4485	83
cluster_8.pdb ( medoid)	4.89621	15.9307	28.5388	78
cluster_9.pdb ( medoid)	4.66826	12.8528	26.8433	60
cluster_10.pdb ( medoid)	4.25468	17.6276	31.55	75