CABS-dock: 38ef3a9d3ecd6ae

Project name: 38ef3a9d3ecd6ae

Status: done

submitted: 2025-07-02 06:13:57, status changed: 2025-07-02 18:53:46

Project settings

Protein sequence(s)	GSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDGETRKVKAHSQTHRVDLGTLRGYYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQTTKHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWMIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM input pdb
Peptide sequence	RAARGQPGY
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCC

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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)	53.7812	1.93376	23.7962	104
cluster_2.pdb ( medoid)	51.1878	1.97313	22.3377	101
cluster_3.pdb ( medoid)	34.8015	5.83307	30.9801	203
cluster_4.pdb ( medoid)	25.4524	5.53975	10.9376	141
cluster_5.pdb ( medoid)	24.2018	4.75171	27.0096	115
cluster_6.pdb ( medoid)	12.9617	6.55778	30.6894	85
cluster_7.pdb ( medoid)	8.71782	12.3884	26.4558	108
cluster_8.pdb ( medoid)	6.13067	6.36146	11.7002	39
cluster_9.pdb ( medoid)	5.48678	12.7579	34.4977	70
cluster_10.pdb ( medoid)	4.5695	7.44063	28.3774	34