CABS-dock: 381dbc9d3d7dab9

Project name: 381dbc9d3d7dab9

Status: done

submitted: 2025-06-20 19:26:40, status changed: 2025-06-21 03:23:49

Project settings

Protein sequence(s)	GSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDGETRKVKAHSQTHRVDLGTLRGYYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQTTKHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWEFLPSDFFPSVMIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM input pdb
Peptide sequence	AYIVFVFVI
Simulation mc cycles	50
Peptide secondary structure psipred	CEEEEEEEC

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 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)	29.8015	3.92598	28.1541	117
cluster_2.pdb ( medoid)	27.9012	4.30089	27.976	120
cluster_3.pdb ( medoid)	22.8322	4.24838	21.2675	97
cluster_4.pdb ( medoid)	19.7101	8.32062	35.4285	164
cluster_5.pdb ( medoid)	15.6163	8.13253	36.703	127
cluster_6.pdb ( medoid)	10.1738	13.6625	36.4601	139
cluster_7.pdb ( medoid)	7.93904	7.68355	29.8122	61
cluster_8.pdb ( medoid)	6.01333	7.31708	19.1683	44
cluster_9.pdb ( medoid)	4.65981	18.2411	50.252	85
cluster_10.pdb ( medoid)	3.50019	13.1422	32.1033	46