D-I-TASSER Q9NX08-D1

D-I-TASSER results for Q9NX08-D1

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

Input Sequence in FASTA format

>Q9NX08 (112 residues)
MEPEEGTPLWRLQKLPAELGPQLLHKIIDGICGRAYPVYQDYHTVWESEEWMHVLEDIAK
FFKAIVGKNLPDEEIFQQLNQLNSLHQETIMKCVKSRKDEIKQALSREIVAI

Predicted Secondary Structure

Sequence	20 40 60 80 100 \| \| \| \| \| MEPEEGTPLWRLQKLPAELGPQLLHKIIDGICGRAYPVYQDYHTVWESEEWMHVLEDIAKFFKAIVGKNLPDEEIFQQLNQLNSLHQETIMKCVKSRKDEIKQALSREIVAI
Prediction	CCCCCCCCHHHHHHCCHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHCC
Confidence	9964455279998689878799999999877189998733456779999999999999999999996489868999999838689999999999999999999999998529
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 \| \| \| \| \| MEPEEGTPLWRLQKLPAELGPQLLHKIIDGICGRAYPVYQDYHTVWESEEWMHVLEDIAKFFKAIVGKNLPDEEIFQQLNQLNSLHQETIMKCVKSRKDEIKQALSREIVAI
Prediction	8556653304105514674045001400240164641435616631436304502630241034114571556503731561476135102400522364035302542377
	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

                   |                   |                   |                   |                   |

SS
Seq

CCCCCCCCHHHHHHCCHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHCC
MEPEEGTPLWRLQKLPAELGPQLLHKIIDGICGRAYPVYQDYHTVWESEEWMHVLEDIAKFFKAIVGKNLPDEEIFQQLNQLNSLHQETIMKCVKSRKDEIKQALSREIVAI

1iseA2

0.09

0.08

3.03

0.49

CEthreader

-----------ISDI-RKDAEVRMDKCVEAFKTQ----ISKIRTGLTEERRKDLTKIVRGEAEQARVARNVGRDANDKVKALLRRSQDDVQKLTDAAIKKIEAALADKEAEL

3owoA2

0.06

2.65

0.63

EigenThreader

STAATPITDACALKAASMIAKNLKTA-CDN---GKDMPAREAMAYAQFLAGMAFNNASLVHAMAHQLNLPHGVCNAVLLPKDVGVAMRDLAASIPLLADHALKDVEELFLSA

6sxjA2

0.14

0.11

3.67

0.63

FFAS-3D

--------------IPFSDVRRAIMDSSEELIDNYQDD-----------ETNSILTLCRMILTMDTGKIIPKDIAGNVAESSPLEHRERILLAVRSNVNLTINYLNNRLKKL

6w2rA1

0.07

0.06

2.57

0.69

SPARKS-K

LEKVARKAIEAAREGNTDEVREQLQRALEIARESG-----------TKTAVKLALDVALRVAQEAAKRGNKIDEAAEVVVRIAEESNSDALEQALRVLEEIAKAVLKSEK--

4oe9A

0.12

4.10

0.53

CNFpred

LTAEHFAALQSLLKASKDVVRQLCQESFSSSALGLKKLLDVTCSSVTQEEAEELLQALHRMTRLVAFRDLSAEAILALFPNFHQNLKNLLTKIMLEHVSTWRTEAQAN----

6rwtA

0.10

0.08

2.96

1.00

DEthreader

------------PTPLGRYEMLSLHIFLALHRMLAIAEFKDVDHLIRMKKLARMFYGRVGAYGAALDANDA-QALAAALTRNIRP-WAYLGAYVLQCRDCL-RE--------

3lmdA

0.07

2.88

0.82

MapAlign

FRPMFALLASEFGVV-VEITHLATLYHDDVMNSVAIAGDILASGLMGTDTVAHFAETFGELQREKTGVLI-ASAGYLGAMAAAPEHIDALKNFGA---AVGMIFQIVDDIID

2pmsC

0.10

3.59

0.52

MUSTER

-GSHMDAEEVAPQA-KIAELENQVHRLEQELKEIDE---APLQS--KLDAKKAKLSKLEELSDKIDELDAEIAKLEDQLKAAEDYFKEGLEKTIAAKKAELEKTEADLKKAV

2h2mA

0.20

0.17

5.43

1.02

HHsearch

MAAGEL--------EGGKPLSGLLNALAQDTFHGYPITSQLYP-EVPPEEFRPFLAKMRGILKSIASADMDFNQLEAFLTGITSDQAAVISKFWKSHKTKIRES--------

3lmdA

0.04

1.96

0.48

CEthreader

FALLASEFGEKPLSENVIKAAVVVEITHLATLYHLLAHASGLMSQLGTDTVAHFAETFGELVTGQMRLIASAGYLGAMHAGAAPEHIDALKNFGAAVIFQIVDDIIDIFSPG

(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	0.8104

(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	3dsiA	0.58	4.04	0.099	0.902	model1_3dsiA.pdb.gz
2	6rwtA	0.56	3.53	0.081	0.804	model1_6rwtA.pdb.gz
3	2ve3A	0.56	3.91	0.036	0.893	model1_2ve3A.pdb.gz
4	3rukA	0.56	3.94	0.037	0.893	model1_3rukA.pdb.gz
5	2zbzA	0.56	3.80	0.073	0.884	model1_2zbzA.pdb.gz
6	2lmdA	0.56	3.73	0.039	0.857	model1_2lmdA.pdb.gz
7	1zo4B	0.56	4.08	0.036	0.911	model1_1zo4B.pdb.gz
8	1t87A	0.55	3.80	0.082	0.866	model1_1t87A.pdb.gz
9	1n97A	0.54	4.13	0.083	0.875	model1_1n97A.pdb.gz
10	1q5eA	0.54	3.96	0.065	0.866	model1_1q5eA.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:1901363	0.63	heterocyclic compound binding
GO:0097159	0.63	organic cyclic compound binding
GO:0003824	0.60	catalytic activity
GO:0043167	0.59	ion binding
GO:0046872	0.58	metal ion binding
GO:0046914	0.55	transition metal ion binding
GO:0016491	0.54	oxidoreductase activity
GO:0046906	0.52	tetrapyrrole 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:0044699	0.69	single-organism process
GO:0008152	0.66	metabolic process
GO:0009987	0.64	cellular process
GO:0044710	0.58	single-organism metabolic 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:0044424	0.98	intracellular part
GO:0044446	0.94	intracellular organelle part
GO:0044428	0.87	nuclear part
GO:0032991	0.87	macromolecular complex
GO:0071010	0.85	prespliceosome
GO:0005685	0.85	U1 snRNP
GO:0000243	0.85	commitment complex
GO:0016020	0.74	membrane
GO:0044444	0.69	cytoplasmic part
GO:0043226	0.63	organelle
GO:0043227	0.62	membrane-bounded organelle
GO:0043229	0.61	intracellular organelle
GO:0043231	0.60	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	1j38A	0.512	4.05	0.051	0.839	3.4.15.1	NA
2	0.060	3hf2A	0.499	4.71	0.037	0.911	1.14.14.1 1.6.2.4	NA
3	0.060	1f4tA	0.509	4.17	0.065	0.812	1.11.1.7	108
4	0.060	2q9fA	0.525	4.30	0.018	0.911	1.14.13.98	108
5	0.060	3eqmA	0.543	4.35	0.045	0.911	1.14.14.1	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	0.16	3cv9A	0.553	3.98	0.071	0.884	0.15	HEM	complex1.pdb.gz	26,29,30,33,34
2	0.02	3dskA	0.583	4.06	0.099	0.902	0.32	T25	complex2.pdb.gz	24,27,31
3	0.01	2zbxA	0.541	4.09	0.099	0.875	0.11	UUU	complex3.pdb.gz	24,28,29,31,32,94
4	0.01	3kx3B	0.545	3.96	0.047	0.875	0.11	140	complex4.pdb.gz	9,26,27
5	0.01	3dsiB	0.507	4.70	0.089	0.920	0.27	HEM	complex5.pdb.gz	21,25,28,32,95,97,100
6	0.01	2zbyA	0.554	4.05	0.081	0.884	0.14	HEM	complex6.pdb.gz	55,56,59,63,64
7	0.01	2x7yA	0.549	3.90	0.064	0.884	0.11	HEM	complex7.pdb.gz	93,100,103,104
8	0.01	2bmhA	0.551	4.08	0.045	0.902	0.12	HEM	complex8.pdb.gz	25,30,33
9	0.01	1jmeB	0.518	4.25	0.067	0.804	0.13	HEM	complex9.pdb.gz	24,28,29,32,33
10	0.01	3cv9A	0.553	3.98	0.071	0.884	0.13	VDX	complex10.pdb.gz	29,32,103

	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.