CABS-dock: Sukarna Basu

Project name: Sukarna Basu

Status: done

submitted: 2025-12-13 01:46:45, status changed: 2025-12-13 07:32:08

Project settings

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

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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)	31.2632	3.5505	20.9799	111
cluster_2.pdb ( medoid)	22.6918	5.42046	35.5433	123
cluster_3.pdb ( medoid)	14.6917	6.60238	29.9851	97
cluster_4.pdb ( medoid)	14.1473	8.27015	32.0689	117
cluster_5.pdb ( medoid)	8.54083	14.8698	34.9965	127
cluster_6.pdb ( medoid)	7.93795	15.6212	46.6662	124
cluster_7.pdb ( medoid)	6.26149	18.2065	53.1786	114
cluster_8.pdb ( medoid)	5.47972	11.3145	30.5252	62
cluster_9.pdb ( medoid)	5.26962	13.853	45.0796	73
cluster_10.pdb ( medoid)	3.38193	15.3758	31.9862	52