CABS-dock: DRAMP00339M

Project name: DRAMP00339M

Status: done

submitted: 2024-07-25 15:27:33, status changed: 2024-07-25 21:51:42

Project settings

Protein sequence(s)

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMVLPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ input pdb

Peptide sequence

GADFQECMKEHSQKQHQHQG

Simulation mc cycles

Peptide secondary structure psipred

CCHHHHHHHHHHHHHHHHCC

Contact information

163:A 1:PEP 5.0 1.0

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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)	41.9769	2.81107	10.076	118
cluster_2.pdb ( medoid)	25.4132	3.81691	13.2561	97
cluster_3.pdb ( medoid)	24.7317	6.06509	15.2294	150
cluster_4.pdb ( medoid)	24.5081	6.97728	22.0084	171
cluster_5.pdb ( medoid)	20.415	7.29855	18.9252	149
cluster_6.pdb ( medoid)	12.9209	7.97157	15.5597	103
cluster_7.pdb ( medoid)	9.91082	10.09	22.1037	100
cluster_8.pdb ( medoid)	8.86261	6.43151	20.9572	57
cluster_9.pdb ( medoid)	3.12482	9.92057	19.3783	31
cluster_10.pdb ( medoid)	1.9595	12.248	22.549	24