CABS-dock: WWC3-WW1 Domain ve Peptit

Project name: WWC3-WW1 Domain ve Peptit

Status: done

submitted: 2025-05-29 00:16:53, status changed: 2025-05-29 00:58:54

Project settings

Protein sequence(s)	QLHKMCEDDSRSYASSFSGYSTNTKYDPHQIKAE input pdb
Peptide sequence	YFHRIS
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCC

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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

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)	34.1091	4.45629	24.7719	152
cluster_2.pdb ( medoid)	33.3903	3.47406	22.0994	116
cluster_3.pdb ( medoid)	28.0487	5.34784	20.6	150
cluster_4.pdb ( medoid)	28.0059	4.35623	13.0484	122
cluster_5.pdb ( medoid)	25.7734	4.92756	11.6874	127
cluster_6.pdb ( medoid)	14.3726	5.49656	20.2791	79
cluster_7.pdb ( medoid)	9.04113	7.74239	35.0177	70
cluster_8.pdb ( medoid)	8.58175	8.62295	21.9479	74
cluster_9.pdb ( medoid)	7.00364	9.56645	30.756	67
cluster_10.pdb ( medoid)	6.67427	6.44265	23.6625	43