CABS-dock: ec24464ee9eb4d1

Project name: ec24464ee9eb4d1

Status: done

submitted: 2026-03-12 10:05:56, status changed: 2026-03-13 17:41:54

Project settings

Protein sequence(s)	MNKRQLYYQVLNFGMIVSSALMIWKGLMVITGSESPIVVVLSGSMEPAFHRGDLLFLTNRVEDPIRVGEIVVFRIEGREIPIVHRVLKIHEKQNGHIKFLTKGDNNAVDDRGLYKQGQHWLEKKDVVGRARGFVPYIGIVTILMNDYPWDGSAVKNSLDDSAKKVLLEKYKYVENFGLIDGRLTICTISCFFAIVALIWDYMHPFPESKPVLALCVISYFVMMGILTIYTSYKEKSIFLVAHRKDPTGMDPDDIWQLSSSLKRFDDKYTLKLTFISGRTKQQREAEFTKSIAKFFDHSGTLVMDAYEPEISRLHDSLAIERKNTVLSRANSLFAFSLSVMAALTFGCFITTAFKDRSVPVRLHVSRIMLKNVEDFTGPRERSDLGFITFDITADLENIFDWNVKQLFLYLSAEYSTKNNALNQVVLWDKIVLRGDNPKLLLKDMKTKYFFFDDGNGLKGNRNVTLTLSWNVVPNAGILPLVTGSGHVSVPFPDTYEITKSYPAMLEHLSSLPTQMDYKGQKLAEQMFQGIILFSAIVGFIYGYVAEQFGWTVYIVMAGFAFSCLLTLPPWPIYRRHPLKWLPVQESS input pdb
Peptide sequence	QLLSCIALSLALVTNSDIQLTQSPSSLSAS
Simulation mc cycles	50
Peptide secondary structure psipred	CHHHHHHHHHHHHCCCCCCCCCCCCCCCCC

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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)	22.5102	4.48685	14.8163	101
cluster_2.pdb ( medoid)	22.3612	4.47204	13.5567	100
cluster_3.pdb ( medoid)	16.3775	4.39628	22.0661	72
cluster_4.pdb ( medoid)	15.659	6.89697	23.3911	108
cluster_5.pdb ( medoid)	12.7223	12.3405	28.4032	157
cluster_6.pdb ( medoid)	8.2384	12.7452	27.2827	105
cluster_7.pdb ( medoid)	7.98886	8.2615	15.1515	66
cluster_8.pdb ( medoid)	7.28145	7.41611	13.9157	54
cluster_9.pdb ( medoid)	4.4107	7.02836	12.4771	31
cluster_10.pdb ( medoid)	3.08844	5.5044	10.1331	17