CABS-dock: C-C-198

Project name: C-C-198_4

Status: done

submitted: 2025-02-05 06:51:29, status changed: 2025-02-06 05:10:37

Project settings

Protein sequence(s)

MHTLLFLLLLAGTQSATARTHSLQYFFTGSSQVPNFPEFVAVGFVDEVQMTHYDSNTMKAEPKQDWMLKTVDSQYWEIHTQKSLDAQQRFKVEMEILKERFNHTEGVHIIQRMYGCEWDDETGEVKGYDQHGYDGEDFISLDLETETWIAPTPQAVITKLKWDNNKALLANQKNYYTQVCPDWLKKYLEHGKSSLLRTELPSMSLLQKSPSSPVSCHATGFYPDSAMLFWRKDGEEHHEDVYVGEVLPNHDGTFQMSADLQVSSIPPEDWRRYDCVFQLSGVKEDIVKRLDKDSVESNREKPTDVTTIIIVAAVVVLALVLAVTGFIVYRKRNAKCPPSPGKDPNVLKPLNPDGQVSNSPSETSSMKNTMKNKVDTCPVFLFVSVLGLLSMFPVLSAERHSLTYIYTAFSKPVQSPGLHEFTAMGMVDQKMIDYFDSDLNLKVPKEPWMEQNMGKDYWKMGTESRQSKQKWFNVNIDILMKRLRQNDTDTHVLQWLHGCETSRSTASMKFYRGVDTYSYDGNDFLHFDDGHGVWVSSGAAADDTKRKWDGVQTLKDYTKGYLENECLKWLEKFVTYRQKQLQAAPSPSMFMFAKKSHTETSVILTCLATGFLQRQVELEMRRDGRLLTAQDGVRTSNVRPNDADSYQIRNSVEILKTDKSLFTCEVLHRESSLSVATTWDRKLPNAASGLTYVGVGVGLVVLVVLGVQPL input pdb

Peptide sequence

YYQSHLKSY

Simulation mc cycles

Peptide secondary structure psipred

CCHHHCCCC

Flexible regions

105:A - 19:A

Re-submit project

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

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)	86.5053	1.16756	8.71259	101
cluster_2.pdb ( medoid)	40.9766	2.83089	18.8954	116
cluster_3.pdb ( medoid)	27.9445	6.33398	15.7087	177
cluster_4.pdb ( medoid)	23.4851	7.83474	21.5004	184
cluster_5.pdb ( medoid)	14.5996	6.84949	14.0211	100
cluster_6.pdb ( medoid)	13.3355	6.44896	13.1496	86
cluster_7.pdb ( medoid)	12.1403	7.82519	16.7551	95
cluster_8.pdb ( medoid)	7.99805	7.00171	16.2195	56
cluster_9.pdb ( medoid)	5.75442	8.34142	22.0718	48
cluster_10.pdb ( medoid)	3.99738	9.25606	17.95	37