CABS-dock: 5MHCI

Project name: 5MHCI

Status: done

submitted: 2025-12-14 22:17:51, status changed: 2025-12-15 09:36:23

Project settings

Protein sequence(s)	GSHSMRYFHTSVSRPGRGEPRFITVGYVDDTLFVRFDSDAASPREEPRAPWIEQEGPEYWDRETQICKAKAQTDREDLRTLLRYYNQSEAGSHTLQNMYGCDVGPDGRLLRGYHQDAYDGKDYIALNEDLSSWTAADTAAQITQRKWEAARVAEQLRAYLEGECVEWLRRYLENGKETLQRADPPKTHVTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDRTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWEPIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM input pdb
Peptide sequence	STYDQAYEK
Simulation mc cycles	50
Peptide secondary structure psipred	CCHHHHCCC

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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)	57.9793	1.86273	12.7268	108
cluster_2.pdb ( medoid)	21.941	10.0725	37.3978	221
cluster_3.pdb ( medoid)	20.5105	4.77804	14.6883	98
cluster_4.pdb ( medoid)	20.2703	3.30534	6.3213	67
cluster_5.pdb ( medoid)	17.4186	6.71695	15.0541	117
cluster_6.pdb ( medoid)	13.8418	5.63511	25.5475	78
cluster_7.pdb ( medoid)	12.0516	10.704	34.1931	129
cluster_8.pdb ( medoid)	11.6674	9.34227	38.7128	109
cluster_9.pdb ( medoid)	8.1732	4.28229	10.0537	35
cluster_10.pdb ( medoid)	5.65382	6.72112	11.7185	38