CABS-dock: mitul-final

Project name: mitul-final

Status: done

submitted: 2025-05-30 13:45:38, status changed: 2025-05-30 18:35:42

Project settings

Protein sequence(s)	SWNYRKIRTNVYAESVRPNLAGFDHPTCNCKNQGEKSCLDNCLNRMVYTECSPSNCPAGEKCRNQKIQRHAVAPGVERFMTADKGWGVRTKLPIAKGTYILEYVGEVVTEKEFKQRMASIYLNDTHHYCLHLDGGLVIDGQRMGSDCRFVNHSCEPNCEMQKWSVNGLSRMVLFAKRAIEEGEELTYDYNFSLFNPSEGQPCRCNTPQCRGVIG input pdb
Peptide sequence	APATGGVKKPHRYRP
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCCCCCCCCC

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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)	41.0062	6.85262	22.6055	281
cluster_2.pdb ( medoid)	24.2206	3.42684	16.4591	83
cluster_3.pdb ( medoid)	16.7393	4.18177	18.8672	70
cluster_4.pdb ( medoid)	10.1972	10.6892	41.7226	109
cluster_5.pdb ( medoid)	9.44062	8.3681	37.8416	79
cluster_6.pdb ( medoid)	7.84869	11.5943	34.0267	91
cluster_7.pdb ( medoid)	7.40973	11.6064	30.4694	86
cluster_8.pdb ( medoid)	6.51977	12.117	27.4773	79
cluster_9.pdb ( medoid)	5.48952	15.3019	32.8837	84
cluster_10.pdb ( medoid)	4.52721	8.39369	20.2172	38