CABS-dock: bbdce10f28d1015

Project name: bbdce10f28d1015

Status: done

submitted: 2026-02-13 17:13:40, status changed: 2026-02-14 11:39:44

Project settings

Protein sequence(s)	MDASTLFKKVKVKRVLGSLEQQIDDITTDSRTAREGSIFVASVGYTVDSHKFCQNVADQGCKLVVVNKEQSLPANVTQVVVPDTLRVASILAHTLYDYPSHQLVTFGVTGTNGKTSIATMIHLIQRKLQKNSAYLGTNGFQINETKTKGANTTPETVSLTKKIKEAVDAGAESMTLEVSSHGLVLGRLRGVEFDVAIFSNLTQDHLDFHGTMEAYGHAKSLLFSQLGEDLSKEKYVVLNNDDSFSEYLRTVTPYEVFSYGIDEEAQFMAKNIQESLQGVSFDFVTPFGTYPVKSPYVGKFNISNIMAAMIAVWSKGTSLETIIKAVENLEPVEGRLEVLDPSLPIDLIIDYAHTADGMNKLIDAVQPFVKQKLIFLVGMAGERDLTKTPEMGRVACRADYVIFTPDNPANDDPKMLTAELAKGATHQNYIEFDDRAEGIKHAIDIAEPGDTVVLASKGREPYQIMPGHIKVPHRDDLIGLEAAYKKFGGGPVD input pdb
Peptide sequence	IRIILRAQGALRI
Simulation mc cycles	50
Peptide secondary structure psipred	CEEEEEECCCCCC

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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)	34.9465	3.23352	37.2603	113
cluster_2.pdb ( medoid)	29.8521	4.25431	13.4578	127
cluster_3.pdb ( medoid)	26.0893	4.33128	21.7042	113
cluster_4.pdb ( medoid)	19.9926	5.40199	29.5892	108
cluster_5.pdb ( medoid)	14.9577	4.67987	33.1346	70
cluster_6.pdb ( medoid)	10.5862	9.16284	35.6769	97
cluster_7.pdb ( medoid)	8.9549	11.1671	22.1501	100
cluster_8.pdb ( medoid)	7.64753	13.4684	30.9509	103
cluster_9.pdb ( medoid)	4.82104	7.25985	21.4535	35
cluster_10.pdb ( medoid)	2.09552	16.2251	31.6711	34