D-I-TASSER Q8N5N7-D1

D-I-TASSER results for Q8N5N7-D1

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

Input Sequence in FASTA format

>Q8N5N7 (158 residues)
MAARSVSGITRRVFMWTVSGTPCREFWSRFRKEKEPVVVETVEEKKEPILVCPPLRSRAY
TPPEDLQSRLESYVKEVFGSSLPSNWQDISLEDSRLKFNLLAHLADDLGHVVPNSRLHQM
CRVRDVLDFYNVPIQDRSKFDELSASNLPPNLKITWSY

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| MAARSVSGITRRVFMWTVSGTPCREFWSRFRKEKEPVVVETVEEKKEPILVCPPLRSRAYTPPEDLQSRLESYVKEVFGSSLPSNWQDISLEDSRLKFNLLAHLADDLGHVVPNSRLHQMCRVRDVLDFYNVPIQDRSKFDELSASNLPPNLKITWSY
Prediction	CCCCCCCCCCCCCCSSSCCCCHHHHHHHHHHCCCCCCCCCHHHHHCCCHHHCCCCCCCCCCCCHHHHHHHHHHHHHHHCCCCCCCCCSSSCCCHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHCCCCCSSSSCCC
Confidence	97410144124652232067236888876410124444302553035022068876789999568999999999998166777764131217679999999999999799997256555520999999996379999868999872699860531479
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| MAARSVSGITRRVFMWTVSGTPCREFWSRFRKEKEPVVVETVEEKKEPILVCPPLRSRAYTPPEDLQSRLESYVKEVFGSSLPSNWQDISLEDSRLKFNLLAHLADDLGHVVPNSRLHQMCRVRDVLDFYNVPIQDRSKFDELSASNLPPNLKITWSY
Prediction	40123233144443323344233442044344565544465255545224533234446142275035204510452245644652552407435300400430174173403322124043053015105331743541540466611641414477
	Values range from 0 (buried residue) to 8 (highly exposed residue)

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

Contact Map

Distance Map

Hydrogen bond networks

D-I-TASSER simulation is guided by the consensus contact map (left figure), distance map (middle figure) and Hydrogen bond network (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.

Top 10 threading templates used by D-I-TASSER

Rank

PDB
hit

ID1

ID2

Cov

Norm.
Zscore

Download
alignment

                  20                  40                  60                  80                 100                 120                 140

                   |                   |                   |                   |                   |                   |                   |

SS
Seq

CCCCCCCCCCCCCCSSSCCCCHHHHHHHHHHCCCCCCCCCHHHHHCCCHHHCCCCCCCCCCCCHHHHHHHHHHHHHHHCCCCCCCCCSSSCCCHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHCCCCCSSSSCCC
MAARSVSGITRRVFMWTVSGTPCREFWSRFRKEKEPVVVETVEEKKEPILVCPPLRSRAYTPPEDLQSRLESYVKEVFGSSLPSNWQDISLEDSRLKFNLLAHLADDLGHVVPNSRLHQMCRVRDVLDFYNVPIQDRSKFDELSASNLPPNLKITWSY

4v1am

0.79

0.45

12.70

0.83

DEthreader

-----------------------------------------------VCP--P-IQSRTYIPPEDLQSRLESHVKEVFGSSVPSNWQDISLEDVHLKFSFLARLANDLRHAVPNSRLHQMCRVRDVLDFYNVPVQDRS--D---------------Y-

4v1am

0.83

0.58

16.24

1.60

SPARKS-K

-------------------------------------------------LVCPPIQSRTYIPPEDLQSRLESHVKEVFGSSVPSNWQDISLEDVHLKFSFLARLANDLRHAVPNSRLHQMCRVRDVLDFYNVPVQDRSKFDELIASNLPHNLKITWGY

5y08A

0.12

4.22

0.71

MapAlign

--VDSIALAEIAVSLSRQFQLNTPLLIQDINTIKDALDGILQREFQLSEKVEPAAIALSGDADLWLGNLVRQIFASHSGYDVNALALDAEIEDSVSVASAQGELFNTLQLNSET-IIANCNTLSALKQCLAARLEKGQDWFELTRAPPPPPL-RSGC-

5y08A

0.10

3.73

0.61

CEthreader

SHLENDLGVDSIALAEIAVSLSRPLLIQDINTIKDALDGILQREFQLSEKVEPAAIALSGDADLWLGNLVRQIFASHSGYDVNALALDAEIEDSVSVASAQGELFNTLQLNSETIIAN-CNTLSALKQCLAARLVQEKGQDWFELTRAPPPPPLRSGC

4v1am

0.83

0.58

16.24

1.62

MUSTER

-------------------------------------------------LVCPPIQSRTYIPPEDLQSRLESHVKEVFGSSVPSNWQDISLEDVHLKFSFLARLANDLRHAVPNSRLHQMCRVRDVLDFYNVPVQDRSKFDELIASNLPHNLKITWGY

4v1am

0.83

0.58

16.24

2.64

HHsearch

-------------------------------------------------LVCPPIQSRTYIPPEDLQSRLESHVKEVFGSSVPSNWQDISLEDVHLKFSFLARLANDLRHAVPNSRLHQMCRVRDVLDFYNVPVQDRSKFDELIASNLPHNLKITWGY

4v1am

0.83

0.58

16.24

1.77

FFAS-3D

-------------------------------------------------LVCPPIQSRTYIPPEDLQSRLESHVKEVFGSSVPSNWQDISLEDVHLKFSFLARLANDLRHAVPNSRLHQMCRVRDVLDFYNVPVQDRSKFDELIASNLPHNLKITWGY

5mrc8

0.12

0.11

3.78

1.12

EigenThreader

-DFMSWFKRKKQEEHQEGSRRCKRQKELKLAVSSAPF--------------NQWLSRDKITSDNQLDDMILQATEKTL----GKVDQDVQFSDLVAKFQFTKFLQSKSGYLIPDYELTTLSTPLQFKRYIKEKILPSANDEIQKLEDDATRKALETAR

4v1am

0.83

0.58

16.24

1.41

CNFpred

-------------------------------------------------LVCPPIQSRTYIPPEDLQSRLESHVKEVFGSSVPSNWQDISLEDVHLKFSFLARLANDLRHAVPNSRLHQMCRVRDVLDFYNVPVQDRSKFDELIASNLPHNLKITWGY

4rsiB

0.02

0.01

1.09

0.83

DEthreader

EEKILAKKTHKQELQDLILDLKKKLNSLKDERSQGNFAHLKQKLNRQR----------------KVLTALSR-LQ-----KSG-RINGF-V-TVECAQHCIDLLGYA---RFIL-LDRL--------NKF-NAFYVLRDTLVAQNV-YGKKRFRVVKG

(a)	ID1 is the number of template residues identical to query divided by number of aligned residues.
(b)	ID2 is the number of template residues identical to query divided by query sequence length.
(c)	Cov is equal the number of aligned template residues divided by query sequence length.
(d)	Norm. Zscore is the normalized Z-score of the threading alignments. A Normalized Z-score >1 means a good alignment and is highlighted in bold.
(e)	Download alignment lists the threading program used to identify the template, and provide the 3D structure of aligned regions of threading templates (threading[1-10].pdb.gz).
(f)	Template residues identical to query sequence are highlighted in color.

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.6668

(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	4v1am	0.48	1.98	0.596	0.532	model1_4v1am.pdb.gz
2	2vsqA	0.46	4.29	0.052	0.665	model1_2vsqA.pdb.gz
3	2zzgA	0.46	4.36	0.061	0.722	model1_2zzgA.pdb.gz
4	5mrc8	0.46	3.20	0.126	0.551	model1_5mrc8.pdb.gz
5	1c5mD	0.46	5.12	0.063	0.785	model1_1c5mD.pdb.gz
6	3elaH	0.45	5.16	0.110	0.791	model1_3elaH.pdb.gz
7	4zxhA	0.45	4.31	0.064	0.639	model1_4zxhA.pdb.gz
8	1hynQ	0.45	5.20	0.038	0.791	model1_1hynQ.pdb.gz
9	1gpzA3	0.44	5.60	0.086	0.804	model1_1gpzA3.pdb.gz
10	2ztgA1	0.43	4.85	0.074	0.715	model1_2ztgA1.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:0000036	0.92	ACP phosphopantetheine attachment site binding involved in fatty acid biosynthetic process
GO:0036094	0.57	small molecule binding
GO:0031177	0.54	phosphopantetheine 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:0070125	1.00	mitochondrial translational elongation
GO:0044699	0.63	single-organism process
GO:0044763	0.60	single-organism cellular process
GO:0016043	0.59	cellular component organization
GO:0043933	0.58	macromolecular complex subunit organization
GO:0071822	0.57	protein complex subunit organization
GO:0070126	0.56	mitochondrial translational termination

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:0044444	1.00	cytoplasmic part
GO:0044446	0.80	intracellular organelle part
GO:0044429	0.75	mitochondrial part
GO:0016020	0.72	membrane
GO:0031090	0.70	organelle membrane
GO:0005743	0.69	mitochondrial inner membrane
GO:0043226	0.68	organelle
GO:0043229	0.64	intracellular organelle
GO:0043227	0.54	membrane-bounded organelle
GO:0043231	0.50	intracellular membrane-bounded organelle

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	1fujC	0.400	5.39	0.071	0.747	3.4.21.76	NA
2	0.060	1q0lA	0.432	4.47	0.050	0.671	1.1.1.267	113
3	0.060	1op0A	0.420	5.00	0.040	0.722	3.4.21.-	NA
4	0.060	2zzgA	0.458	4.36	0.061	0.722	6.1.1.7	NA
5	0.060	1ca0C	0.212	4.77	0.041	0.354	3.4.21.1	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	1wtgH	0.428	5.03	0.083	0.734	0.12	3BP	complex1.pdb.gz	41,44,142,153,154
2	0.01	2xbvA	0.437	4.99	0.050	0.741	0.11	XBV	complex2.pdb.gz	113,116,118,126,130
3	0.01	2bohB	0.421	4.93	0.051	0.728	0.11	IIA	complex3.pdb.gz	60,130,132
4	0.01	1wunH	0.453	5.08	0.119	0.778	0.12	P5B	complex4.pdb.gz	37,152,153,154
5	0.01	2flrH	0.457	5.20	0.078	0.804	0.12	7NH	complex5.pdb.gz	70,71,103,104
6	0.01	1nfuA	0.423	5.09	0.058	0.741	0.15	RRP	complex6.pdb.gz	101,102,108,109,110,111,112
7	0.01	3kqbA	0.425	5.02	0.042	0.734	0.10	LGJ	complex7.pdb.gz	66,91,94,109,119,120,121
8	0.01	1z6eA	0.423	4.78	0.068	0.715	0.12	IK8	complex8.pdb.gz	102,105,109,111,112,114
9	0.01	2xc4A	0.430	5.07	0.050	0.741	0.12	IVK	complex9.pdb.gz	120,128,129,130
10	0.01	2y80A	0.423	4.78	0.068	0.715	0.11	439	complex10.pdb.gz	129,131,132

	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.