D-I-TASSER Q6ZTQ4-D7

D-I-TASSER results for Q6ZTQ4-D7

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

Input Sequence in FASTA format

>Q6ZTQ4 (170 residues)
ITLGSILLLGLLVYLVVLLAKAIHRHCPCKTGKNKEPLTKKGETKTAERDVVVETIQMNT
IFDGEAIDPVTGETYEFNSKTGARKWKDPLTQMPKWKESSHQGAAPRRVTAGEGMGSLRS
ANWEEDELSGKAWAEDAGLGSRNEGGKLGNPKNRNPAFMNRAYPKPHPGK

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 \| \| \| \| \| \| \| \| ITLGSILLLGLLVYLVVLLAKAIHRHCPCKTGKNKEPLTKKGETKTAERDVVVETIQMNTIFDGEAIDPVTGETYEFNSKTGARKWKDPLTQMPKWKESSHQGAAPRRVTAGEGMGSLRSANWEEDELSGKAWAEDAGLGSRNEGGKLGNPKNRNPAFMNRAYPKPHPGK
Prediction	CCHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSSSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Confidence	92679999999999999999999997578886566776444665566644433220234444662027755632454156662223686222788888876666667555777888988875456786655645678988888899979986689998888899999999
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 \| \| \| \| \| \| \| \| ITLGSILLLGLLVYLVVLLAKAIHRHCPCKTGKNKEPLTKKGETKTAERDVVVETIQMNTIFDGEAIDPVTGETYEFNSKTGARKWKDPLTQMPKWKESSHQGAAPRRVTAGEGMGSLRSANWEEDELSGKAWAEDAGLGSRNEGGKLGNPKNRNPAFMNRAYPKPHPGK
Prediction	53311033123333321211320242043465765523455573654635434433525331424132323343131215321431552457346465545644444543547446447446564754565443574635546674447416745453465444544588
	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                 160

                   |                   |                   |                   |                   |                   |                   |                   |

SS
Seq

CCHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSSSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
ITLGSILLLGLLVYLVVLLAKAIHRHCPCKTGKNKEPLTKKGETKTAERDVVVETIQMNTIFDGEAIDPVTGETYEFNSKTGARKWKDPLTQMPKWKESSHQGAAPRRVTAGEGMGSLRSANWEEDELSGKAWAEDAGLGSRNEGGKLGNPKNRNPAFMNRAYPKPHPGK

3p1lA2

0.10

0.07

2.58

0.54

CEthreader

----------------------------------------------------YSNLHPALADNVVYAADRAGLVKALNADDGKEIWSVSLAEKDGWFSKEPALLSGGVTVSGGHVYIGSEKAQVAGEALSRPVVSDGLVLIHTSNGQLQALNEADGAVKWTVNLDMP---

2p4qA

0.09

3.38

0.52

EigenThreader

LAVMGQNLILNAADHDHFLANEDFISKLKRPRKVKAGAPVDALINQIVPLLDIIIDGGNSHFVGSGVGARYGPSLMPGGSGAGHYVKMVLICEAYDIMKRLGGFTDKEISDVFAKWNNGVLDSFLVEITRDILKGKWTAINALDLGMPVTLIGEAVFARCLSALKNERIR

3q41A1

0.21

0.09

2.81

0.39

FFAS-3D

-------ESAHISDAVGVVAQAVHELLEKENITDPPRGCVGNTNIWKTGPLFKRVLMSSKYADG-----VTGRV-EFNED-GDRKF------------------------------------------------------------------------------------

5yfpH2

0.11

3.85

0.92

SPARKS-K

DRSSVLILEKFWDTELDQLFKNVEGAQKFINSTKGRHILMNTTTGKPLQMVQIFILVLIADKS-RDKQNDFIVSQCYPLKDVTVTQEEFSTKRLLFKFSNSNSSLYECRDADECDVIRKAKDDLCDIFHVEEENSKRIRESRYLQSTQQTPGRENNRSPNKNKRRSMGGS

2gifA

0.11

0.03

1.05

0.46

CNFpred

FQVGLLTTIGLSAKNAILIVEFAKDLMDKEGKGL--------------IEATLDAVRM----------------------------------------------------------------------------------------------------------------

5d06A

0.06

0.05

2.03

0.83

DEthreader

KLSQTQPSYLVPSFFALVVGIMYGCCRAMLMSDNV-----------TVFVQSLAMTSQMMAACWRDIS-R-----IPNLL-AGAAFFVQIIEILNRGGIEVGGGAEILAVVAPEFAAILALRMRTPEWVWC--------------LKHREWIENSPWAG--TQ-------

6iabA

0.05

2.18

0.74

MapAlign

----------------DLIKDIDRFVNGFELNELEPKFVMGFGGIRNAVNQSINIDKETNHMYSTQSDSQPEGFWINKLTPISSMRIGHGTTIGLERQSNGEMKIWLHHDGVAKLLQVEEAKGLTDYTPQSLLNKHTFTPLIDEANDKLILRFGDGTIQVRSRADVKNHI

6d4hA

0.09

3.38

0.73

MUSTER

EEGANVLTTEALLQHLDSALQASRVHVYMYNRQWKSGELITETGYMDQIIEYLYPCLIITPLDCFWEGAKLQSGTAYLLGKPPLRWTNFDPLEFL-EELKKINYQVDSWEEMLNKAEVGHGYMDRPCLNPADPDCPATAPNKNSTKPLDMALVLNGGCHGLSRKYMHWQE

2dk7A

0.14

0.06

2.01

0.61

HHsearch

-----------------------------------------GSSGSSGKAKPVATAPIPTPWC-VVWT-GDERVFFYNPTTRLSMWDRPDDLIGRADDKIIQEPPHKKSGPSSG--------------------------------------------------------

7nriB1

0.12

0.08

2.90

0.52

CEthreader

------------------------------------------------------NLHPALADNVVYAADRAGLVKALNADDGKEIWS-VSLAEKDGWFSKEPALLSGGVTVSGGHVYIGSEKAQVYALNTVAWQTKVAGEALSRDGLVLIHTSNGQLQVKWTVNLDMPSL

(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	0.4447

(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	1ua4A	0.46	5.33	0.086	0.835	model1_1ua4A.pdb.gz
2	5ol0A	0.46	4.89	0.056	0.782	model1_5ol0A.pdb.gz
3	5hgxA	0.46	5.15	0.047	0.788	model1_5hgxA.pdb.gz
4	5nd5A2	0.46	5.18	0.072	0.794	model1_5nd5A2.pdb.gz
5	1kekA	0.45	5.14	0.037	0.794	model1_1kekA.pdb.gz
6	6oc5A	0.45	5.00	0.056	0.771	model1_6oc5A.pdb.gz
7	6hraA	0.45	4.79	0.047	0.741	model1_6hraA.pdb.gz
8	6m6gB	0.45	5.45	0.082	0.800	model1_6m6gB.pdb.gz
9	3ahcA2	0.45	5.49	0.037	0.841	model1_3ahcA2.pdb.gz
10	1r9jB	0.45	5.42	0.058	0.812	model1_1r9jB.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:0043169	0.61	cation binding
GO:0019904	0.54	protein domain specific binding
GO:0019899	0.54	enzyme binding
GO:0003682	0.54	chromatin binding
GO:0070087	0.53	chromo shadow domain binding
GO:0047485	0.53	protein N-terminus binding
GO:0042826	0.53	histone deacetylase binding
GO:0036033	0.53	mediator complex binding
GO:0008022	0.53	protein C-terminus 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	0.90	cellular process
GO:0016043	0.85	cellular component organization
GO:0044699	0.81	single-organism process
GO:0044763	0.66	single-organism cellular process
GO:0065007	0.63	biological regulation
GO:0050789	0.63	regulation of biological process
GO:0050794	0.60	regulation of cellular process
GO:0032502	0.60	developmental process
GO:0048519	0.58	negative regulation of biological process
GO:0044767	0.58	single-organism developmental process
GO:0060255	0.57	regulation of macromolecule metabolic process
GO:0048856	0.57	anatomical structure development
GO:0044707	0.57	single-multicellular organism process
GO:0031323	0.57	regulation of cellular metabolic process
GO:0080090	0.56	regulation of primary metabolic process
GO:0048522	0.56	positive regulation of cellular process
GO:0030154	0.56	cell differentiation
GO:0009653	0.56	anatomical structure morphogenesis
GO:0008104	0.56	protein localization
GO:0051171	0.55	regulation of nitrogen compound metabolic process
GO:0051130	0.55	positive regulation of cellular component organization
GO:0048523	0.55	negative regulation of cellular process
GO:0032268	0.55	regulation of cellular protein metabolic process
GO:0031326	0.55	regulation of cellular biosynthetic process
GO:0031325	0.55	positive regulation of cellular metabolic process
GO:0010604	0.55	positive regulation of macromolecule metabolic process
GO:0051239	0.54	regulation of multicellular organismal process
GO:0050896	0.54	response to stimulus
GO:0031401	0.54	positive regulation of protein modification process
GO:0031324	0.54	negative regulation of cellular metabolic process
GO:0010638	0.54	positive regulation of organelle organization
GO:0010605	0.54	negative regulation of macromolecule metabolic process
GO:0006355	0.54	regulation of transcription, DNA-templated
GO:0071481	0.53	cellular response to X-ray
GO:0061038	0.53	uterus morphogenesis
GO:0061010	0.53	gall bladder development
GO:0060325	0.53	face morphogenesis
GO:0050890	0.53	cognition
GO:0048703	0.53	embryonic viscerocranium morphogenesis
GO:0048701	0.53	embryonic cranial skeleton morphogenesis
GO:0048592	0.53	eye morphogenesis
GO:0048589	0.53	developmental growth
GO:0048557	0.53	embryonic digestive tract morphogenesis
GO:0045995	0.53	regulation of embryonic development
GO:0045944	0.53	positive regulation of transcription from RNA polymerase II promoter
GO:0045778	0.53	positive regulation of ossification
GO:0045444	0.53	fat cell differentiation
GO:0042634	0.53	regulation of hair cycle
GO:0042471	0.53	ear morphogenesis
GO:0040018	0.53	positive regulation of multicellular organism growth
GO:0035261	0.53	external genitalia morphogenesis
GO:0035115	0.53	embryonic forelimb morphogenesis
GO:0034613	0.53	cellular protein localization
GO:0034088	0.53	maintenance of mitotic sister chromatid cohesion
GO:0031065	0.53	positive regulation of histone deacetylation
GO:0019827	0.53	stem cell population maintenance
GO:0007605	0.53	sensory perception of sound
GO:0007507	0.53	heart development
GO:0007420	0.53	brain development
GO:0007064	0.53	mitotic sister chromatid cohesion
GO:0006974	0.53	cellular response to DNA damage stimulus
GO:0003151	0.53	outflow tract morphogenesis
GO:0003007	0.53	heart morphogenesis
GO:0000122	0.53	negative regulation of transcription from RNA polymerase II promoter

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:0016020	0.99	membrane
GO:0005886	0.98	plasma membrane
GO:0044424	0.50	intracellular 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	1hbmB	0.444	4.94	0.055	0.712	2.8.4.1	NA
2	0.060	1ua4A	0.465	5.33	0.086	0.835	2.7.1.147	NA
3	0.060	1q17C	0.433	5.13	0.034	0.759	3.5.1.-	68
4	0.060	2bp7H	0.438	5.42	0.054	0.794	1.2.4.4	83
5	0.060	2zkmX	0.429	4.71	0.040	0.712	3.1.4.11	76

	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:

Click to view	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	3ai7C	0.317	5.68	0.027	0.594	0.54	TPP	complex1.pdb.gz	63,64,79,81
	2	0.01	3gluA	0.449	4.93	0.043	0.747	0.45	III	complex2.pdb.gz	64,65,82

	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.