CABS-dock: 2e2a53c5ad005b2

Project name: 2e2a53c5ad005b2

Status: done

submitted: 2025-08-24 07:40:24, status changed: 2025-08-24 18:02:32

Project settings

Protein sequence(s)	EVQLVESGGGVVQPGRSLRLSCGVSGFTFSNYAIHWVRQAPGKRLEWVALISYDGKKQYYLDSVKGRFTISRDNSKDMVYLQMNSLKAEDTAIYYCARDRARSTGYFGGIYYYYYGMDVWGQGTTVTVSGASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPDIQMTQSPSSLSASVGDRVTITCQASQDIDNYLNWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTSFTLTISSLQPEDIGTYYCQKYGSVPFPFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input pdb
Peptide sequence	GGAGGAGGESDNGDGG
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCCCCCCC

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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

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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)	18.8842	6.19567	34.6604	117
cluster_2.pdb ( medoid)	18.4042	5.97689	33.9273	110
cluster_3.pdb ( medoid)	15.6451	9.71552	37.6935	152
cluster_4.pdb ( medoid)	13.5454	9.89268	33.3259	134
cluster_5.pdb ( medoid)	12.0593	10.863	36.7373	131
cluster_6.pdb ( medoid)	10.6242	7.71824	34.716	82
cluster_7.pdb ( medoid)	7.36612	13.0326	34.5943	96
cluster_8.pdb ( medoid)	5.51104	15.7865	47.1628	87
cluster_9.pdb ( medoid)	3.81335	12.5874	30.2373	48
cluster_10.pdb ( medoid)	2.65853	16.1743	35.69	43