CABS-dock: e8671b323ab0608

Project name: e8671b323ab0608

Status: done

submitted: 2025-04-14 04:07:55, status changed: 2025-04-15 09:15:08

Project settings

Protein sequence(s)	IESIIKTATDTVKSEINAELGVVPSLNAVETGATSNTEPEEAIQTRTVINQHGVSETLVENFLSRAALVSKRSFEYKDHTSSTADKNFFKWTINTRSFVQLRRKLELFTYLRFDAEITILTTVAVNGYVGLPDLTLQAMFVPTGALTPEKQDSFHWQSGSNASVFFKISDPPARITIPFMCINSAYSVFYDGFAGFEKNGLYGINPADTIGNLCVRIVNEHQPVGFTVTVRVYMKPKHIKAWAPRPPRTLPYMSIANANYKGKERAPNALSAIIGNRDSVKTMPHNIVNSDRVLQLKLGNSAIVTQEAANYCCAYGEWPNYLPDHEAVAIDKPTQPETATDRFYTLKSVKWETGSTGWWWKLPDALNNIGMFGQNVQHHYLYRSGFLIHVQCNATKFHQGALLVVAIPEHQRGAHNTNTSPGFDDIMKGEEGGTFNHPYVLDDGTSLACATIFPHQWINLRTNNSATIVLPWMNAAPMDFPLRHNQWTLAIIPVVPLGTRTTSSMVPITVSIAPMCCEFNGLRHAITGVPTYLLPGSGQFLTTDDHSSAPALPCFNPTPEMHIPGQVRNMLEVVQVESMMEINNTESAVGMERLKVDISALTDVDQLLFNIPLDIQLDGPLRNTLVGNISRYYTHWSGSLEMTFMFCGSFMAAGKLILCYTPPGGSCPTTRETAMLGTHIVWDFGLQSSVTLIIPWISGSHYRMFNNDAKSTNANVGYVTCFMQTNLIVPSESSDTCSLIGFIAAKDDFSLRLMRDSPDIGQLDHLHAAEAAYQINFYKDSYAASASKQDFSQDPSKFTEPVVEGLKAAPVL input pdb
Peptide sequence	CRYCCNCCRNKGCGYCCKF
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCCCCCCCCCC

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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)	13.3693	9.64899	55.0375	129
cluster_2.pdb ( medoid)	11.6043	11.9783	53.7043	139
cluster_3.pdb ( medoid)	11.2854	8.50654	21.2958	96
cluster_4.pdb ( medoid)	10.9169	15.2974	56.5458	167
cluster_5.pdb ( medoid)	10.8334	11.5384	26.8022	125
cluster_6.pdb ( medoid)	6.65552	12.1703	39.454	81
cluster_7.pdb ( medoid)	4.5082	12.8655	38.1203	58
cluster_8.pdb ( medoid)	4.15412	15.6471	36.9621	65
cluster_9.pdb ( medoid)	3.70395	16.7389	49.9881	62
cluster_10.pdb ( medoid)	2.76408	28.2192	62.5016	78