CABS-dock: PTP-EGFR

Project name: PTP-EGFR

Status: done

submitted: 2025-12-10 10:57:53, status changed: 2025-12-10 22:11:06

Project settings

Protein sequence(s)	MAPGGYVAPKAVWLPAVKAKGLEISGTFTHRQGHIYMEMNFTNKALQHMTDFAIQFNKNSFGVIPSTPLAIHTPLMPNQSIDVSLPLNTLGPVMKMEPLNNLQVAVKNNIDVFYFSCLIPLNVLFVEDGKMERQVFLATWKDIPNENELQFQIKECHLNADTVSSKLQNNNVYTIAKRNVEGQDMLYQSLKLTNGIWILAELRIQPGNPNYTLSLKCRAPEVSQYIYQVYDSILKNGGYVAPKAVWLPAVKAKGLEISGTFTHRQGHIYMEMNFTNKALQHMTDFAIQFNKNSFGVIPSTPLAIHTPLMPNQSIDVSLPLNTLGPVMKMEPLNNLQVAVKNNIDVFYFSCLIPLNVLFVEDGKMERQVFLATWKDIPNENELQFQIKECHLNADTVSSKLQNNNVYTIAKRNVEGQDMLYQSLKLTNGIWILAELRIQPGNPNYTLSLKCRAPEVSQYIYQVYDSILKN input pdb
Peptide sequence	VDADEYLIPQQ
Simulation mc cycles	50
Peptide secondary structure psipred	CCHHHCCCCCC

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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)	53.5393	1.88646	26.2731	101
cluster_2.pdb ( medoid)	34.7213	3.57129	10.337	124
cluster_3.pdb ( medoid)	27.4583	4.33384	13.0774	119
cluster_4.pdb ( medoid)	14.2021	9.08315	43.8568	129
cluster_5.pdb ( medoid)	11.9941	12.0059	45.5613	144
cluster_6.pdb ( medoid)	11.2255	5.07775	9.87309	57
cluster_7.pdb ( medoid)	7.99288	17.5156	45.81	140
cluster_8.pdb ( medoid)	6.99858	6.1441	12.3699	43
cluster_9.pdb ( medoid)	4.9228	18.0791	44.4204	89
cluster_10.pdb ( medoid)	4.71003	11.4649	26.4658	54