CABS-dock: 1t2c&Pep7

Project name: 1t2c&Pep7

Status: done

submitted: 2025-02-04 10:03:39, status changed: 2025-02-04 17:18:29

Project settings

Protein sequence(s)	APKAKIVLVGSGMIGGVMATLIVQKNLGDVVLFDIVKNMPHGKALDTSHTNVMAYSNCKVSGSNTYDDLAGADVVIVTAGFTKAPGKSDKEWNRDDLLPLNNKIMIEIGGHIKKNCPNAFIIVVTNPVDVMVQLLHQHSGVPKNKIIGLGGVLDTSRLKYYISQKLNVCPRDVNAHIVGAHGNKMVLLKRYITVGGIPLQEFINNKLISDAELEAIFDRTVNTALEIVNLHASPYVAPAAAIIEMAESYLKDLKKVLICSTLLEGQYGHSDIFGGTPVVLGANGVEQVIELQLNSEEKAKFDEAIAETKRMKALA input pdb
Peptide sequence	MFKVTFEFVWGYWK
Simulation mc cycles	50
Peptide secondary structure psipred	CCEEEEEEEEECCC

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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 3Dmol (WebGL)

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

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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)	35.885	5.82415	26.4563	209
cluster_2.pdb ( medoid)	29.7649	4.50195	23.5812	134
cluster_3.pdb ( medoid)	27.3376	4.75536	12.5376	130
cluster_4.pdb ( medoid)	14.891	8.12569	19.8953	121
cluster_5.pdb ( medoid)	11.5364	10.6619	34.7054	123
cluster_6.pdb ( medoid)	9.35204	7.59193	19.1482	71
cluster_7.pdb ( medoid)	9.30538	6.77028	14.8482	63
cluster_8.pdb ( medoid)	9.17255	6.21419	13.9756	57
cluster_9.pdb ( medoid)	7.99242	6.00569	18.0439	48
cluster_10.pdb ( medoid)	4.34887	10.1176	27.4176	44