CABS-dock: f67ab94f66cc7b2

Project name: f67ab94f66cc7b2

Status: done

submitted: 2025-04-14 06:52:34, status changed: 2025-04-15 12:17:26

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)	40.6088	2.65952	27.4749	108
cluster_2.pdb ( medoid)	29.8121	3.45497	22.33	103
cluster_3.pdb ( medoid)	13.0424	12.4977	38.185	163
cluster_4.pdb ( medoid)	12.6838	14.6644	41.4556	186
cluster_5.pdb ( medoid)	11.944	8.45609	19.4405	101
cluster_6.pdb ( medoid)	9.43365	7.42024	16.6375	70
cluster_7.pdb ( medoid)	8.87496	15.5494	58.7417	138
cluster_8.pdb ( medoid)	6.8842	8.86087	22.2242	61
cluster_9.pdb ( medoid)	5.42803	6.26379	10.5541	34
cluster_10.pdb ( medoid)	2.4728	14.5584	25.7706	36