D-I-TASSER Q8NHQ1-D3

D-I-TASSER results for Q8NHQ1-D3

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

Input Sequence in FASTA format

>Q8NHQ1 (138 residues)
MPHFQTLQAIVSHFQKLFDVPSLNGVYPRMNEVYTRLGEMNNAVRNLQELLELDSSSSLC
VLVSTVGKLCRLINEDVNEQVMQVLGPEDLQSIIYKLEEHEEFFPAFQAFTNDLLEILEI
DDLDAIVPAVKKLKVLSY

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 \| \| \| \| \| \| MPHFQTLQAIVSHFQKLFDVPSLNGVYPRMNEVYTRLGEMNNAVRNLQELLELDSSSSLCVLVSTVGKLCRLINEDVNEQVMQVLGPEDLQSIIYKLEEHEEFFPAFQAFTNDLLEILEIDDLDAIVPAVKKLKVLSY
Prediction	CCCHHHHHHHHHHHHHHHCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHCHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHCC
Confidence	996899999999999993899756742236899999999999999999997899899789999999999999612257899987186656999999998888728899999999999798818999999999877439
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 \| \| \| \| \| \| MPHFQTLQAIVSHFQKLFDVPSLNGVYPRMNEVYTRLGEMNNAVRNLQELLELDSSSSLCVLVSTVGKLCRLINEDVNEQVMQVLGPEDLQSIIYKLEEHEEFFPAFQAFTNDLLEILEIDDLDAIVPAVKKLKVLSY
Prediction	754352043005203411605516203320340133144234004103411704762414301520440153346623540462054740630153055245213303400530163060640450143045144358
	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

                   |                   |                   |                   |                   |                   |

SS
Seq

CCCHHHHHHHHHHHHHHHCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHCHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHCC
MPHFQTLQAIVSHFQKLFDVPSLNGVYPRMNEVYTRLGEMNNAVRNLQELLELDSSSSLCVLVSTVGKLCRLINEDVNEQVMQVLGPEDLQSIIYKLEEHEEFFPAFQAFTNDLLEILEIDDLDAIVPAVKKLKVLSY

1qqeA

0.07

2.76

0.54

CEthreader

EEAADLCVQAATIYRLRKELNLAGDSFLKAADYQKKAGNEDEAGNTYVEAYKCFSGGNSVNAVDSLENAIQIFTRRGANFKFELGEIDCYELAGEWYAQDQSVALSNKCFIKCADLKALDGQYIEASDIYSKLIKSSM

5uj7A

0.08

0.07

2.92

0.52

EigenThreader

CREQEFQDIYNFVESKLLDHTGHEVIRCLQQAAQAPHQVYVQILQKL-----TGQANHAAELLAKQFLQQILRSRDACLDICRRATIAHSMEAVDESYITAIKNSSVLEQSFLRAILAEFRRSGQIYSQHVALCRMEG

4eukB

0.10

0.09

3.46

0.71

FFAS-3D

MDLVQKQKSLQDYTKSLFLEGILDSQFLQLQQVTLFFQDSDRILNDLSLSLD-QQVVDFKKVDPHVHQL---------KGSSSSIGAQRVKNACVVFRSFQQNVEACHRCLQQVKQEYYKNRLETLFKLEQQIVASG-

5cwjA

0.11

0.09

3.43

0.59

SPARKS-K

-----DSEEEQERIRRILKEARKSG----------TEESLRQAIEDVAQLAKSQDSEVLEEAIRVILRIAKESGSEAIRAVAEIAKEQDIRVILRIAKESEEALRQAIRAVAEIAKEAQDPRLEEAIRVIRQIAEESG

3nd2A

0.13

4.50

0.60

CNFpred

SSVEPVADMLMGLFFRLLEKKDSAFIEDDVFYAISALA-LETFSPYLLKALNQVDSPVSITAVGFIADISNSLEEDFRRYSDAMMN--VLAQMISNPNARRELKPAVLSVFGDIASNIGIPYLNDIMALCVAAQNTKP

2q6hA

0.03

1.67

0.83

DEthreader

LV-IPLMWIEWAGIITYAYVRDILSGLTAATLNEKAEVLGGSISIPAAVFFNAVAAKGAFNLGFITL-PA---------IFSQ-TAGG-FLGFL-WFFLLFFAGLTSSIAIMQPMIF--MWAGTGVVFFGLTELIIFF

6vbu8

0.08

3.14

0.55

MapAlign

YKDWWWKVQIGKCYYRLGLYREAEKQFLYLAKVYISPLTALNLFKQGLDKCGIARIYNISSATEYYKEVLKQTHVEAIACIGSNHQPEVALRFYRRLLQNCQLFNNLGEVADVWYNLGHAVDTNLAHQCFRLALVS--

2pl2A

0.14

4.69

0.48

MUSTER

LYALGRYDAALTLFERALKEPQDPEALYWLARTQLKLGLVNPALENGKTLVARTPRYLGGYMVLSEAYVALYRQAEDRERGKGYL--EQALSVLKDAERVNPRYAPLHLQRGLVYALLG--ERDKAEASLKQALALED

1vt4I3

0.17

0.15

5.01

0.57

HHsearch

--EYALHRSIVDHYNKTFDSDDLI--PPYLQYFYSHIGHLKNIEHPERMLFRMVF-LDFRFLEQKIRHDSTAWNASILNTLQQLK------FYK--P-YICDNDPKYERLVNAILDFLPKIEENLICSKYTDLLRIAL

6mfvA1

0.06

2.56

0.41

CEthreader

EKEGLVLLHVGDIYLHMGNYEKGISYYQEALKMAKAYGIKFLEHISYMELAKYYQLKLYEKASEYSEKAANYFLMIRNYRRATDA-MAYGSVSYIATKNLEKAEKFAKEMIRIAQSTDYPLAWAGYIFLAAVDFLKGD

(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	0.5755

(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	6iv9A	0.59	4.28	0.075	0.935	model1_6iv9A.pdb.gz
2	3l1lA	0.54	3.67	0.038	0.783	model1_3l1lA.pdb.gz
3	4us3A	0.54	4.57	0.071	0.877	model1_4us3A.pdb.gz
4	3hfxA	0.54	3.40	0.024	0.725	model1_3hfxA.pdb.gz
5	4ff1A	0.53	4.28	0.060	0.804	model1_4ff1A.pdb.gz
6	6cseM	0.53	4.56	0.044	0.855	model1_6cseM.pdb.gz
7	5oqtA	0.53	4.64	0.049	0.877	model1_5oqtA.pdb.gz
8	4ui9I	0.52	4.30	0.062	0.826	model1_4ui9I.pdb.gz
9	5o9zH	0.52	4.54	0.058	0.848	model1_5o9zH.pdb.gz
10	3gi9C	0.52	4.36	0.089	0.855	model1_3gi9C.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:0042802	1.00	identical protein 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:0009987	1.00	cellular process
GO:0044699	0.68	single-organism process
GO:0044763	0.61	single-organism cellular process
GO:0016043	0.61	cellular component organization
GO:0022402	0.60	cell cycle process
GO:1903047	0.57	mitotic cell cycle process
GO:0007017	0.53	microtubule-based process
GO:0000086	0.53	G2/M transition of mitotic cell cycle
GO:0044767	0.52	single-organism developmental 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:0031965	1.00	nuclear membrane
GO:0005737	1.00	cytoplasm
GO:0005654	1.00	nucleoplasm
GO:0043226	0.78	organelle
GO:0043229	0.76	intracellular organelle
GO:0044430	0.73	cytoskeletal part
GO:0043232	0.71	intracellular non-membrane-bounded organelle
GO:0005815	0.67	microtubule organizing center
GO:0005813	0.66	centrosome
GO:0044444	0.59	cytoplasmic part

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	2z9xB	0.386	5.31	0.073	0.783	2.6.1.30	NA
2	0.060	2fonB	0.483	4.02	0.070	0.732	1.3.3.6	NA
3	0.060	3kw3B	0.481	4.58	0.087	0.833	5.1.1.1	NA
4	0.060	1bjnA	0.476	4.30	0.067	0.775	2.6.1.52	NA
5	0.060	3d9dA	0.523	4.12	0.055	0.797	1.7.3.1	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	3cf4A	0.497	5.02	0.039	0.877	0.25	SF4	complex1.pdb.gz	10,17,18,19,20
2	0.01	2q6hA	0.519	4.65	0.038	0.877	0.17	CXX	complex2.pdb.gz	25,28,36
3	0.01	1a34A	0.201	4.83	0.031	0.333	0.17	RQA	complex3.pdb.gz	25,26,29,30
4	0.01	3b96A	0.504	3.98	0.047	0.783	0.11	MYA	complex4.pdb.gz	12,27,37
5	0.01	3mkhB	0.500	4.30	0.048	0.775	0.18	FAD	complex5.pdb.gz	28,30,34
6	0.01	3l1l0	0.543	3.67	0.038	0.783	0.12	III	complex6.pdb.gz	11,13,23,31,34,38,41,42,49,56
7	0.01	3qs5A	0.521	4.49	0.046	0.891	0.17	TRP	complex7.pdb.gz	43,44,45,46
8	0.01	2a65A	0.523	4.50	0.038	0.891	0.26	LEU	complex8.pdb.gz	39,42,43,44,45
9	0.01	3mkhA	0.503	4.25	0.048	0.775	0.19	FAD	complex9.pdb.gz	29,30,31,34

	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.