CABS-dock: 3F9P-YHTGPIVW

Project name: 3F9P-YHTGPIVW

Status: done

submitted: 2025-08-24 12:48:02, status changed: 2025-08-25 03:18:56

Project settings

Protein sequence(s)	TCPEQDKYRTITGMCNNRRSPTLGASNRAFVRWLPAEYEDGFSLPYGWTPGVKRNGFPVALARAVSNEIVRFPTDQLTPDQERSLMFMQWGQLLDHDLDFTPEPAARVNCETSCVQQPPCFPLKIPPNDPRIKNQADCIPFFRSPACPGSNITIRNQINALTSFVDASMVYGSEEPLARNLRNMSNQLGLLAVNQRFQDNGRALLPFDNLHDDPCLLTNRSARIPCFLAGDTRSSEMPELTSMHTLLLREHNRLATELKSLNPRWDGERLYQEARKIVGAMVQIITYRDYLPLVLGPTAMRKYLPTYRSYNDSVDPRIANVFTNAFRYGHTLIQPFMFRLDNRYQPMEPNPRVPLSRVFFASWRVVLEGGIDPILRGLMATPAKLNRQNQIAVDEIRERLFEQVMRIGLDLPALNMQRSRDHGLPGYNAWRRFCGLPQPETVGQLGTVLRNLKLARKLMEQYGTPNNIDIWMGGVSEPLKRKGRVGPLLACIIGTQFRKLRDGDRFWWENEGVFSMQQRQALAQISLPRIICDNTGITTVSKNNIFMSNSYPRDFVNCSTLPALNLASWREA input pdb
Peptide sequence	YHTGPIVW
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCCC

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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

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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)	26.2999	5.93159	42.5872	156
cluster_2.pdb ( medoid)	24.8299	4.02741	7.37508	100
cluster_3.pdb ( medoid)	24.2478	5.36131	42.4287	130
cluster_4.pdb ( medoid)	14.2653	11.6366	43.9999	166
cluster_5.pdb ( medoid)	14.1858	8.17718	37.075	116
cluster_6.pdb ( medoid)	13.8171	6.87552	36.8144	95
cluster_7.pdb ( medoid)	9.11877	7.01849	26.2629	64
cluster_8.pdb ( medoid)	4.45229	18.6421	37.7784	83
cluster_9.pdb ( medoid)	3.83725	14.5938	48.5797	56
cluster_10.pdb ( medoid)	2.28275	14.8943	37.3781	34