CABS-dock: 7bf8de152ff53a9

Project name: 7bf8de152ff53a9

Status: done

submitted: 2025-10-10 11:14:07, status changed: 2025-10-10 16:10:04

Project settings

Protein sequence(s)	ASAAEQVNKTIIGIDPGSGIMSLTDKAMKDYDLNDWTLISASSAAMTATLKKSYDRKKPIIITGWTPHWMFSRRYKLKYLDDDPKQSYGSAEEIHTITRKGFSKEQPNAAKLLSQFKWTQDEMGEIMIKVEEGEKPAKVAAEYVNKHKDQIAEWTKGVQKVKGDKINLAYVAWDSEIASTNVIGKVLEDLGYEVTLTQVEEAGPMWTAIATGSADASLSAWLPNTHKAYAAKYKGKYDDIGTSMTGVKMGLVVPQYMKNNVNSIEDLKK input pdb
Peptide sequence	ITSISLCTPGCKTGALMGCNMKTATCHCSI
Simulation mc cycles	50
Peptide secondary structure psipred	CCEEEECCCCCCCCCCCCCCCCCCCCCCCC

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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

Download all files

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)	17.0933	7.78083	35.9712	133
cluster_2.pdb ( medoid)	16.4357	5.9018	25.981	97
cluster_3.pdb ( medoid)	14.6905	7.28363	35.4408	107
cluster_4.pdb ( medoid)	11.8868	15.6476	47.4568	186
cluster_5.pdb ( medoid)	9.95121	9.94854	23.6824	99
cluster_6.pdb ( medoid)	8.06743	10.7841	38.8765	87
cluster_7.pdb ( medoid)	7.3994	9.59537	26.9213	71
cluster_8.pdb ( medoid)	6.3589	17.6131	40.3487	112
cluster_9.pdb ( medoid)	5.26556	11.2049	26.6642	59
cluster_10.pdb ( medoid)	3.88261	12.6204	31.1719	49