CABS-dock: MHC2+RX5-7

Project name: MHC2+RX5-7

Status: done

submitted: 2025-12-30 09:30:28, status changed: 2025-12-30 18:19:12

Project settings

Protein sequence(s)	HAIKDHVISQFGAGDAFTDGELQSVGELMLADANQDDDWFELKMMEEFRAVDQDPYFVTPSVFCNTDETCQNVAHIFIDNGEFIQPTVKVAPPESRISNSNTITLMCLVTGFFPPEISITWFKNGQELTEGSTYTTNSVDEPADLFYDCKVNHQGTYEPMGLTVEEPGVQHFVHQFMYGEGSEVFDFDSDEYFYVDKRELGRPDAWVNGEVVPAELRSIQPAEHWDRNQLLEECRAHNGTLESVRVLLDRYYWNSQKESILRTRAVTMSCRHNYEIFVPPTVKVFPKPSIEKNGNVTLICLVTGFYPKHIEVKWLLNGQELPAQVGYYVNGSELQFQDALDDICPTVEKSGLYSCRVEHSGVFEPIGLEWEH input pdb
Peptide sequence	SASQVRSAQAKQTYTY
Simulation mc cycles	50
Peptide secondary structure psipred	CHHHHHHHHHCCCCCC

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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 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

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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)	28.7214	3.69063	27.9841	106
cluster_2.pdb ( medoid)	23.1889	8.40921	28.5411	195
cluster_3.pdb ( medoid)	22.8168	4.1636	27.4885	95
cluster_4.pdb ( medoid)	22.2491	5.34852	23.8334	119
cluster_5.pdb ( medoid)	19.1881	5.88906	18.2087	113
cluster_6.pdb ( medoid)	14.6715	6.81595	18.5911	100
cluster_7.pdb ( medoid)	12.5171	5.11299	24.9911	64
cluster_8.pdb ( medoid)	12.1876	4.92305	13.2408	60
cluster_9.pdb ( medoid)	10.7649	10.4042	31.761	112
cluster_10.pdb ( medoid)	6.75767	5.32728	8.00657	36