CABS-dock: Try1

Project name: Try1

Status: done

submitted: 2024-09-13 10:32:29, status changed: 2024-09-13 20:25:22

Project settings

Protein sequence(s)	GSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDGETRKVKAHSQTHRVDLGTLRGYYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQTTKHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWE input pdb
Peptide sequence	YTVIITAHTR
Simulation mc cycles	100
Peptide secondary structure psipred	CEEEEEEECC

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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)	44.4442	4.43252	18.7997	197
cluster_2.pdb ( medoid)	42.7776	1.49611	5.87243	64
cluster_3.pdb ( medoid)	32.6944	2.56925	5.88129	84
cluster_4.pdb ( medoid)	30.4736	1.5095	4.49334	46
cluster_5.pdb ( medoid)	25.2466	6.77318	30.5186	171
cluster_6.pdb ( medoid)	22.2369	2.29348	4.73969	51
cluster_7.pdb ( medoid)	19.3833	3.61136	11.3226	70
cluster_8.pdb ( medoid)	16.6357	7.1533	23.9195	119
cluster_9.pdb ( medoid)	15.3444	10.2317	31.0163	157
cluster_10.pdb ( medoid)	13.7046	2.9917	8.31806	41