CABS-dock: C-C-100

Project name: C-C-100_5

Status: done

submitted: 2025-02-04 08:21:47, status changed: 2025-02-05 11:28:07

Project settings

Protein sequence(s)

MHTLLFLLLLAGTQSATARTHSLQYFHTGSSQVPNFPEFVSVGYVDEVQINHYDSNTMKVEPKQDWMLKTTDSQYWEKNTKYFLSERQIFKVNIEIAKERFNQTEGVHIIQRMYGCEWDDETGEVKGYDQHGYDGEDFISLDLETETWIAPTPQAVITKLKWDNNKALLANQKNYYTQVCPDWLKKYLEHGKSSLLRTELPSMSLLQKSPSSPVSCHATGFYPDSAMLFWRKDGEEHHEDVYVGEVLPNHDGTFQMSADLQVSSIPPEDWRRYDCVFQLSGVKEDIVKRLDKDSVESNREKPTDVTTIIIVAAVVVLALVLAVTGFIVYRKRNAKCPPSPGKDPNVLKPLNPDGQVSNSPSETSSMKNTMKNKVDTCPVFLFVSVLGLLSMFPVLSAERHSLTYIYTAFSKPVQSPGLHEFTAMGMVDQKMIDYFDSDLNLKVPKEPWMEQNMGKDYWKMGTESRQSKQKWFNVNIDILMKRLRQNDTDTHVLQWLHGCETSRSTASMKFYRGVDTYSYDGNDFLHFDDGHGVWVSSGAAADDTKRKWDGVQTLKDYTKGYLENECLKWLEKFVTYRQKQLQAAPSPSMFMFAKKSHTETSVILTCLATGFLQRQVELEMRRDGRLLTAQDGVRTSNVRPNDADSYQIRNSVEILKTDKSLFTCEVLHRESSLSVATTWDRKLPNAASGLTYVGVGVGLVVLVVLGVQPL input pdb

Peptide sequence

WATRLDYQY

Simulation mc cycles

Peptide secondary structure psipred

CCCCCCCCC

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)	23.417	3.75796	30.0092	88
cluster_2.pdb ( medoid)	21.8499	3.15792	9.17498	69
cluster_3.pdb ( medoid)	21.4624	4.28657	10.2352	92
cluster_4.pdb ( medoid)	19.9402	5.76726	22.9824	115
cluster_5.pdb ( medoid)	18.392	7.4489	39.3355	137
cluster_6.pdb ( medoid)	16.1993	3.45694	11.937	56
cluster_7.pdb ( medoid)	15.4325	8.09978	37.8531	125
cluster_8.pdb ( medoid)	14.0244	6.27478	25.3619	88
cluster_9.pdb ( medoid)	12.5251	9.6606	51.4022	121
cluster_10.pdb ( medoid)	5.45829	13.9238	31.8887	76