CABS-dock: ADEAB_MHC

Project name: ADEAB_MHC_I

Status: done

submitted: 2026-05-09 16:15:14, status changed: 2026-05-10 00:32:09

Project settings

Protein sequence(s)	GSHSMRYFYTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDQETRNVKAQSQTDRVDLGTLRGYYNQSEDGSHTIQIMYGCDVGPDGRFLRGYRQDAYDGKDYIALNEDLRSWTAADMAAQITKRKWEAAHAAEQQRAYLEGRCVEWLRRYLENGKETLQRTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWEMIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM input pdb
Peptide sequence	SGYEVHHQK
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCC

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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)	51.9693	2.30905	10.899	120
cluster_2.pdb ( medoid)	27.4464	6.59468	27.93	181
cluster_3.pdb ( medoid)	24.0558	7.52416	31.204	181
cluster_4.pdb ( medoid)	19.5516	5.31924	27.3108	104
cluster_5.pdb ( medoid)	11.2892	6.6435	26.7995	75
cluster_6.pdb ( medoid)	10.1169	5.83185	15.6004	59
cluster_7.pdb ( medoid)	6.40078	11.0924	30.9282	71
cluster_8.pdb ( medoid)	6.13813	10.4266	34.5183	64
cluster_9.pdb ( medoid)	5.75935	10.0706	25.6693	58
cluster_10.pdb ( medoid)	5.4429	15.9841	34.2269	87