CABS-dock: primed p4

Project name: primed p4

Status: done

submitted: 2025-05-09 14:30:54, status changed: 2025-05-09 19:32:09

Project settings

Protein sequence(s)	TPIATFVSGSPSLNTYNATTVNSSANAFSCAYYLQQWNIQGLLVTSLYLKLDSATMGNRPGDLNSANAKWFTFWVSAYLQQCNPSGIQAGTVSPSTATLTDFEPMANRSVTSPWTYSANGYYEPSIGEFQVFSPVVTGAWNPGNIGIRVLPVPVSASGERYTLLCYSLQCTNASIFNPNNSGTMIVGPVLYSCPAASLP input pdb
Peptide sequence	QWKWMW
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 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)	38.259	5.90711	17.5983	226
cluster_2.pdb ( medoid)	26.3509	5.54061	17.3231	146
cluster_3.pdb ( medoid)	22.1695	6.63074	21.1246	147
cluster_4.pdb ( medoid)	21.9174	4.97322	27.1251	109
cluster_5.pdb ( medoid)	17.3622	3.51338	12.7247	61
cluster_6.pdb ( medoid)	12.5689	5.33063	17.8162	67
cluster_7.pdb ( medoid)	9.21746	7.37731	17.3478	68
cluster_8.pdb ( medoid)	7.80595	6.27726	16.6577	49
cluster_9.pdb ( medoid)	7.05721	10.4857	30.0626	74
cluster_10.pdb ( medoid)	3.59775	14.7314	31.8353	53