CABS-dock: TNFa+antiTNFa(2)

Project name: TNFa+antiTNFa(2)

Status: done

submitted: 2026-06-02 09:50:33, status changed: 2026-06-03 00:11:15

Project settings

Protein sequence(s)	RTPSDKPVAHVVANPQAEGQLQWLNRRANALLANGVELRDNQLVVPSEGLYLIYSQVLFKGQGCPSTHVLLTHTISRIAVSYQTKVNLLSAIKSPCQRETPEGAEAKPWYEPIYLGGVFQLEKGDRLSAEINRPDYLLFAESGQVYFGIIALRTPSDKPVAHVVANPQAEGQLQWLNRRANALLANGVELRDNQLVVPSEGLYLIYSQVLFKGQGCPSTHVLLTHTISRIAVSYQTKVNLLSAIKSPCQRETPEGAEAKPWYEPIYLGGVFQLEKGDRLSAEINRPDYLLFAESGQVYFGIIALRTPSDKPVAHVVANPQAEGQLQWLNRRANALLANGVELRDNQLVVPSEGLYLIYSQVLFKGQGCPSTHVLLTHTISRIAVSYQTKVNLLSAIKSPCQRETPEGAEAKPWYEPIYLGGVFQLEKGDRLSAEINRPDYLLFAESGQVYFGIIAL input pdb
Peptide sequence	CGGGGSENHLRHCLSCSKCRKEM
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCCCHHHHHHHHHHHHHHHCC

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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)	23.0258	5.86299	22.3933	135
cluster_2.pdb ( medoid)	17.4384	7.22545	20.7626	126
cluster_3.pdb ( medoid)	16.8749	6.2815	23.3904	106
cluster_4.pdb ( medoid)	16.052	14.453	35.8025	232
cluster_5.pdb ( medoid)	15.0691	4.9107	9.66319	74
cluster_6.pdb ( medoid)	14.0825	7.66907	16.3294	108
cluster_7.pdb ( medoid)	11.9737	4.84396	28.572	58
cluster_8.pdb ( medoid)	9.15642	5.78829	19.7559	53
cluster_9.pdb ( medoid)	6.24011	8.97421	19.4338	56
cluster_10.pdb ( medoid)	5.91293	8.79429	17.6731	52