CABS-dock: bf0773286f6a88c

Project name: bf0773286f6a88c

Status: done

submitted: 2025-04-22 03:21:10, status changed: 2025-04-22 14:26:12

Project settings

Protein sequence(s)	NEPPLVFHWFPLIGSTITYGMDPPRFFKENRAKYGECFTFVLLGKKTTVYLGTQGNDFILNGKIRDVCAEEIYTVLTTPVFGKDVVYDCPNSKLMEQKKFMKVALTTDAFRSYVPIISDEVTSYFKRTSDFKGQSGIVNICPKMAQITIFTASHALQGKEIRSKFDESLADLYHDLDMGFSPINFKLHWAPLPWNQRRDHAQRTIAKIYMDTIKSRRARGETDAKDIMWHLMNSEYKNGVKVPDHEIAHMMIALLMAGQHSSSSTSSWIMLRLASRPDIMEELYQEQVKNLGADLPPLKYEDLAKLPLNQAIVKETLRLHAPIHSIMRAVKQPMPIPGTKYVIPTNHVLLAAPGVSASDPQYFPEPDLWEPHRWEKESPLAPSIVRNEAAEEDEEKVDYGYGLVSKGAGSPYLPFGAGRHRCIGEQFANVQLQTIVAMTVRLFKFRNVDSSNKVIGTDYASLFSRPLEPANIYWERR input pdb
Peptide sequence	FIHHIIGGLFSAGKAIHRLIRRRRR
Simulation mc cycles	50
Peptide secondary structure psipred	CCHHHHHHHHHHHHHHHHHHHHHCC

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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)	22.3373	5.01402	20.952	112
cluster_2.pdb ( medoid)	20.7669	5.92288	39.5966	123
cluster_3.pdb ( medoid)	20.3344	5.90132	29.2695	120
cluster_4.pdb ( medoid)	18.2212	5.10394	19.8861	93
cluster_5.pdb ( medoid)	14.2184	5.8375	24.3136	83
cluster_6.pdb ( medoid)	13.9814	6.22256	16.2349	87
cluster_7.pdb ( medoid)	10.0686	10.925	25.1881	110
cluster_8.pdb ( medoid)	7.08552	15.1012	41.9484	107
cluster_9.pdb ( medoid)	5.70752	16.4695	38.5661	94
cluster_10.pdb ( medoid)	3.78718	18.7475	51.5685	71