D-I-TASSER P11836

D-I-TASSER results for P11836

[Click result.zip to download all results on this page]

Summary of the Protein

Uniprot ID: P11836
Protein Name: B-lymphocyte antigen CD20
Gene Name: MS4A1

Input Sequence in FASTA format

>P11836 (297 residues)
MTTPRNSVNGTFPAEPMKGPIAMQSGPKPLFRRMSSLVGPTQSFFMRESKTLGAVQIMNG
LFHIALGGLLMIPAGIYAPICVTVWYPLWGGIMYIISGSLLAATEKNSRKCLVKGKMIMN
SLSLFAAISGMILSIMDILNIKISHFLKMESLNFIRAHTPYINIYNCEPANPSEKNSPST
QYCYSIQSLFLGILSVMLIFAFFQELVIAGIVENEWKRTCSRPKSNIVLLSAEEKKEQTI
EIKEEVVGLTETSSQPKNEEDIEIIPIQEEEEEETETNFPEPPQDQESSPIENDSSP

Predicted Contact and Distance Map Used in D-I-TASSER simulation

Contact Map

Distance Map

D-I-TASSER simulation is guided by the consensus contact map (left figure) and distance map (right figure) derived based on confidence scores of AttentionPotential. In the contact, distance map and hydrogen bond networks, the axes mark the residue index along the sequence. For the contact map, each dot represents a residue pair with predicted contact, while for the distance map and hydrogen bond network, a color scale represents a distance of 1-20+ angstroms or a angle of 0-180 degree.

Information of Domain

No. of Domain	Domain	Domain Boundary	Length of Domain	Models of Domain	Sequence
1	P11836-D1	1-225	225		MTTPRNSVNGTFPAEPMKGPIAMQSGPKPLFRRMSSLVGPTQSFFMRESKTLGAVQIMNGLFHIALGGLLMIPAGIYAPICVTVWYPLWGGIMYIISGSLLAATEKNSRKCLVKGKMIMNSLSLFAAISGMILSIMDILNIKISHFLKMESLNFIRAHTPYINIYNCEPANPSEKNSPSTQYCYSIQSLFLGILSVMLIFAFFQELVIAGIVENEWKRTCSRPKS
2	P11836-D2	226-297	72		NIVLLSAEEKKEQTIEIKEEVVGLTETSSQPKNEEDIEIIPIQEEEEEETETNFPEPPQDQESSPIENDSSP

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.64

(a)

D-I-TASSER simulations generate a large ensemble of structural conformations, i.e. decoys. These decoys are clustered by SPICKER based on pairwise structure similarity to report up to five final models from the five largest clusters. Models are ranked in descending order of cluster size. If the simulations converge well, it is possible to have less than 5 models generated, which is usually an indication of good model quality.

(b)

The model confidence is quantitatified by estimated TM-score (eTM-score), calculated based on significance of threading template alignments, contact map satisfaction rate, mean absolute error between distance of model and distance of AttentionPotential, and convergence of D-I-TASSER simulations. eTM-score is typically in the range of [0, 1], with higher eTM-score signifies higher model confidence.

Proteins with similar structure

Top 10 structural analogs in PDB (as identified by TM-align)

Rank	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	Download Alignment
1	5j65A	0.50	3.96	0.049	0.616	model1_5j65A.pdb.gz
2	1qoyA	0.49	3.86	0.024	0.616	model1_1qoyA.pdb.gz
3	3p8cB	0.49	5.01	0.056	0.710	model1_3p8cB.pdb.gz
4	6grjG	0.48	3.78	0.042	0.599	model1_6grjG.pdb.gz
5	5vjsA	0.48	2.66	0.080	0.542	model1_5vjsA.pdb.gz
6	6w08A	0.47	3.26	0.035	0.569	model1_6w08A.pdb.gz
7	4k1pA	0.47	3.85	0.039	0.579	model1_4k1pA.pdb.gz
8	4iaqA	0.47	5.13	0.035	0.670	model1_4iaqA.pdb.gz
9	7nmqA	0.47	4.09	0.041	0.593	model1_7nmqA.pdb.gz
10	6vjaC	0.46	2.14	0.819	0.498	model1_6vjaC.pdb.gz

(a)	Query structure is shown in cartoon, while the structural analog is displayed using backbone trace.
(b)	Ranking of proteins is based on TM-score of the structural alignment between the query structure and known structures in the PDB library.
(c)	RMSD^a is the RMSD between residues that are structurally aligned by TM-align.
(d)	IDEN^a is the percentage sequence identity in the structurally aligned region.
(e)	Cov. represents the coverage of the alignment by TM-align and is equal to the number of structurally aligned residues divided by length of the query protein.

Predicted Gene Ontology (GO) Terms

Molecular Function (MF)

GO term	Cscore^GO	Name
GO:0032403	0.62	protein complex binding
GO:0003823	0.58	antigen binding
GO:0023026	0.57	MHC class II protein complex binding

Download full result of the above consensus prediction.

Click the graph to show a high resolution version.

(a)

Cscore^GO is the confidence score of predicted GO terms. Cscore^GO values range in between [0-1]; where a higher value indicates a better confidence in predicting the function using the template.

(b)

The graph shows the predicted terms within the Gene Ontology hierachy for Molecular Function. Confidently predicted terms are color coded by Cscore^GO:

[0.4,0.5)

[0.5,0.6)

[0.6,0.7)

[0.7,0.8)

[0.8,0.9)

[0.9,1.0]

Biological Process (BP)

GO term	Cscore^GO	Name
GO:0050896	1.00	response to stimulus
GO:0002376	0.93	immune system process
GO:0006955	0.92	immune response
GO:0044699	0.89	single-organism process
GO:0009987	0.88	cellular process
GO:0044763	0.86	single-organism cellular process
GO:0042100	0.76	B cell proliferation
GO:0006959	0.76	humoral immune response
GO:0065007	0.57	biological regulation
GO:0050789	0.56	regulation of biological process

Download full result of the above consensus prediction.

Click the graph to show a high resolution version.

(a)

Cscore^GO is the confidence score of predicted GO terms. Cscore^GO values range in between [0-1]; where a higher value indicates a better confidence in predicting the function using the template.

(b)

The graph shows the predicted terms within the Gene Ontology hierachy for Biological Process. Confidently predicted terms are color coded by Cscore^GO:

[0.4,0.5)

[0.5,0.6)

[0.6,0.7)

[0.7,0.8)

[0.8,0.9)

[0.9,1.0]

Cellular Component (CC)

GO term	Cscore^GO	Name
GO:0044464	1.00	cell part
GO:0044425	1.00	membrane part
GO:0044459	0.96	plasma membrane part
GO:0043227	0.81	membrane-bounded organelle
GO:0044421	0.75	extracellular region part
GO:0070062	0.73	extracellular exosome
GO:0005615	0.73	extracellular space
GO:0016021	0.72	integral component of membrane
GO:0005887	0.67	integral component of plasma membrane

Download full result of the above consensus prediction.

Click the graph to show a high resolution version.

(a)

Cscore^GO is the confidence score of predicted GO terms. Cscore^GO values range in between [0-1]; where a higher value indicates a better confidence in predicting the function using the template.

(b)

The graph shows the predicted terms within the Gene Ontology hierachy for Cellular Component. Confidently predicted terms are color coded by Cscore^GO:

[0.4,0.5)

[0.5,0.6)

[0.6,0.7)

[0.7,0.8)

[0.8,0.9)

[0.9,1.0]

Predicted Enzyme Commission (EC) Numbers

Top 5 enzyme homologs in PDB

Rank	Cscore^EC	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	EC Number	Predicted Active Site Residues
1	0.060	1w27A	0.419	5.17	0.041	0.603	4.3.1.24	NA
2	0.060	3crlB	0.431	3.55	0.040	0.525	2.7.11.2	NA
3	0.060	2ix6E	0.267	5.40	0.038	0.394	1.3.3.6	210
4	0.060	1rx0A	0.399	4.55	0.051	0.556	1.3.99.-	215
5	0.060	1udyA	0.391	4.77	0.029	0.552	1.3.99.3	NA

	Click on the radio buttons to visualize predicted active site residues.
(a)	Cscore^EC is the confidence score for the Enzyme Commission (EC) number prediction. Cscore^EC values range in between [0-1]; where a higher score indicates a more reliable EC number prediction.
(b)	TM-score is a measure of global structural similarity between query and template protein.
(c)	RMSD^a is the RMSD between residues that are structurally aligned by TM-align.
(d)	IDEN^a is the percentage sequence identity in the structurally aligned region.
(e)	Cov. represents the coverage of global structural alignment and is equal to the number of structurally aligned residues divided by length of the query protein.

Predicted Ligand Binding Sites

Template proteins with similar binding site:

Rank	Cscore^LB	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	BS-score	Lig. Name	Download Complex	Predicted binding site residues
1	0.01	1y8nA	0.429	3.30	0.038	0.518	0.61	RED	complex1.pdb.gz	91,123,130,131
2	0.01	2pnrF	0.407	3.61	0.043	0.498	0.67	RED	complex2.pdb.gz	91,100,124
3	0.01	2w6dA	0.415	4.30	0.039	0.545	0.73	GDP	complex3.pdb.gz	56,57,59,60
4	0.01	1y8oA	0.431	3.52	0.046	0.522	0.68	RED	complex4.pdb.gz	88,94,130
5	0.01	2bu2A	0.418	3.35	0.037	0.505	0.63	TF1	complex5.pdb.gz	31,52,55,56,207,210
6	0.01	2w6dB	0.414	4.44	0.038	0.549	0.94	CPL	complex6.pdb.gz	94,95,126,127,129
7	0.01	2r05A	0.416	4.48	0.048	0.545	0.68	III	complex7.pdb.gz	89,96,97,116,119,120,123,127

	Click on the radio buttons to visualize predicted binding site and residues.
(a)	Cscore^LB is the confidence score of predicted binding site. Cscore^LB values range in between [0-1]; where a higher score indicates a more reliable ligand-binding site prediction.
(b)	BS-score is a measure of local similarity (sequence & structure) between template binding site and predicted binding site in the query structure. Based on large scale benchmarking analysis, we have observed that a BS-score >1 reflects a significant local match between the predicted and template binding site.
(c)	TM-score is a measure of global structural similarity between query and template protein.
(d)	RMSD^a the RMSD between residues that are structurally aligned by TM-align.
(e)	IDEN^a is the percentage sequence identity in the structurally aligned region.
(f)	Cov. represents the coverage of global structural alignment and is equal to the number of structurally aligned residues divided by length of the query protein.

[Click result.zip to download all results on this page]

References:
1.	Wei Zheng, Chengxin Zhang, Yang Li, Robin Pearce, Eric W. Bell, Yang Zhang. Folding non-homology proteins by coupling deep-learning contact maps with I-TASSER assembly simulations. In preparation, 2020.