CABS-dock: Peptide1-DQ8

Project name: Peptide1-DQ8

Status: done

submitted: 2024-07-26 21:40:06, status changed: 2024-07-27 05:57:47

Project settings

Protein sequence(s)	DIVADHVASYGVNLYQSYGPSGQYSHEFDGDEEFYVDLERKETVWQLPLFRRFRRFDPQFALTNIAVLKHNLNIVIKRSNSTAATNEVPEVTVFSKSPVTLGQPNTLICLVDNIFPPVVNITWLSNGHSVTEGVSETSFLSKSDHSFFKISYLTFLPSADEIYDCKVEHWGLDEPLLKHWEPGSRDSPEDFVYQFKGMCYFTNGTERVRLVTRYIYNREEYARFDSDVGVYRAVTPLGPPAAEYWNSQKEVLERTRAELDTVCRHNYQLELRTTLQRRVEPTVTISPLLVCSVTDFYPAQIKVRWFRNDQEETTGVVSTPLIRNGDWTFQILVMLEMTPQRGDVYTCHVEHPSLQNPIIVEWRA input pdb
Peptide sequence	GQNITEEFYQSTCSAVSK
Simulation mc cycles	50
Peptide secondary structure psipred	CCCHHHHHHHHHHHHHCC

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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)	44.942	2.29184	11.9863	103
cluster_2.pdb ( medoid)	31.3259	3.51147	44.0349	110
cluster_3.pdb ( medoid)	16.1547	8.9757	30.4915	145
cluster_4.pdb ( medoid)	14.586	7.26724	24.0936	106
cluster_5.pdb ( medoid)	12.2329	14.7962	36.3987	181
cluster_6.pdb ( medoid)	10.8602	9.30003	32.7583	101
cluster_7.pdb ( medoid)	8.75924	8.21989	31.6684	72
cluster_8.pdb ( medoid)	5.07629	13.9866	24.725	71
cluster_9.pdb ( medoid)	4.23713	19.1167	39.9261	81
cluster_10.pdb ( medoid)	2.33964	12.8225	27.899	30