D-I-TASSER Q92796-D4

D-I-TASSER results for Q92796-D4

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

Input Sequence in FASTA format

>Q92796 (164 residues)
SLHLNDMYAPPDYASTFTALADNHISHNSSLGYLGAVESKVSYPTSEKRSLYVRALFDYD
RTRDSCLPSQGLSFSYGDILHVINASDDEWWQARLVTPHGESEQIGVIPSKKRVEKKERA
RLKTVKFHARTGMIESNRDFPGLSDDYYGAKNLKGQEDAILSYE

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 \| \| \| \| \| \| \| \| SLHLNDMYAPPDYASTFTALADNHISHNSSLGYLGAVESKVSYPTSEKRSLYVRALFDYDRTRDSCLPSQGLSFSYGDILHVINASDDEWWQARLVTPHGESEQIGVIPSKKRVEKKERARLKTVKFHARTGMIESNRDFPGLSDDYYGAKNLKGQEDAILSYE
Prediction	CSSSCCSSCCCCCCCCHHHHHHHHHCCCCCCCSCCCCCCCCCCCCCCCCCSSSSSCCCSCCCCCCCCCCCCCCSCCCCSSSSSSCCCCCSSSSSSCCCCCCCCCSSSSSCHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCHHHCCCCCCCCCCCCCCCC
Confidence	98992153686445556889886530135521424678877788899862899982230888898887664651799299998747999599998068998774589816478889988765205556776656655565433320110124445522215889
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 \| \| \| \| \| \| \| \| SLHLNDMYAPPDYASTFTALADNHISHNSSLGYLGAVESKVSYPTSEKRSLYVRALFDYDRTRDSCLPSQGLSFSYGDILHVINASDDEWWQARLVTPHGESEQIGVIPSKKRVEKKERARLKTVKFHARTGMIESNRDFPGLSDDYYGAKNLKGQEDAILSYE
Prediction	71404532447544543553454445454444434424464544557632200000011335646633455030544120201253453002022236657533201032532344444444563645554543557554554555244664464365303428
	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 DeepPotential. 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

CSSSCCSSCCCCCCCCHHHHHHHHHCCCCCCCSCCCCCCCCCCCCCCCCCSSSSSCCCSCCCCCCCCCCCCCCSCCCCSSSSSSCCCCCSSSSSSCCCCCCCCCSSSSSCHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCHHHCCCCCCCCCCCCCCCC
SLHLNDMYAPPDYASTFTALADNHISHNSSLGYLGAVESKVSYPTSEKRSLYVRALFDYDRTRDSCLPSQGLSFSYGDILHVINASDDEWWQARLVTPHGESEQIGVIPSKKRVEKKERARLKTVKFHARTGMIESNRDFPGLSDDYYGAKNLKGQEDAILSYE

4wsiA

0.26

0.17

5.27

0.83

DEthreader

---------------E--S--IGQYGGET------IPSQQIKPPPAKETVIHVKAHFDYDPSDDPYVPCRGLSFQKGDILHVISQEDPNWWQAYREGD-EDNQLAGLVPGKE------IGPFIAPIVNSDLDKAQLRINLD-----------------------

2xkxA

0.40

0.32

9.54

1.51

SPARKS-K

TVTIIAQYKPEEYSRFEA------KIHDLREQLMNTASLRSNPKRGF----YIRALFDYDKTKDCGFLSQALSFRFGDVLHVIDAGDEEWWQARRVHSDSETDDIGFIPSKRRVERREWS---------RLKAKDWGS-----------SSGSQGREDSVLSYE

2xkxA

0.31

0.28

8.48

0.92

MapAlign

------ASHEQAAIALKYSRFEKIHDLREQLMNSSLGSGTASLRSNPKRGFYIRALFDYDKTKDCGFLSQALSFRFGDVLHVIDAGDEEWWQARRVHSDSETDDIGFIPSKRRVEKDRANDDLIEAGQYNSHLYGTSVQSVREVAEQGKHCILDV---------

2xkxA

0.34

0.33

9.87

0.52

CEthreader

TVTIIAQYKPEEYSRFEAKIHDLREQLMNSSLGSGTA----SLRSNPKRGFYIRALFDYDKTKDCGFLSQALSFRFGDVLHVIDAGDEEWWQARRVHSDSETDDIGFIPSKRRVERREWSRLKAKDWGSSSGSQGREDSVLSYETVTQMEVHYARPIIILGPTK

2xkxA

0.43

0.37

10.73

1.38

MUSTER

TVTIIAQYKPEEY-SRFEAKIHDLREQLMNSSLGSGTA---SLRSNPKRGFYIRALFDYDKTKDCGFLSQALSFRFGDVLHVIDAGDEEWWQARRVHSDSETDDIGFIPSKRRVERREWSRLKAKDWGSS--------------------SGSQGREDSVLSYE

2xkxA

0.48

0.40

11.71

2.92

HHsearch

TVTIIAQYKPEEYS-RFEAKIHDLREMNSSLGSGTA-----SLRSNPKRGFYIRALFDYDKTKDCGFLSQALSFRFGDVLHVIDAGDEEWWQARRVHSDSETDDIGFIPSKRRVERREWSRLKAKDWGSSSG--------------------SQGREDSVLSYE

2xkxA4

0.53

0.33

9.51

1.40

FFAS-3D

------------------------------------------LRSNPKRGFYIRALFDYDKTKDCGFLSQALSFRFGDVLHVIDAGDEEWWQARRVHSDSETDDIGFIPSKRRVERREWSRLKAKDWGSSSGS--------------------QGREDSVLSYE

4wsiA

0.20

0.16

5.28

0.77

EigenThreader

DSVIIIVKGGAAEKSG---------------LLHEGDFVLIPSQQIKPPPAHVKAHFDYDPSDDPYVPCLGLSFQKGDILHVISQEDPNWWQAYREGDEDNQPLAVPGKEE------------ILTGQNELRQRLMNKEKDRFAVPRSRRDQEVAGRDYHFVSR

2xkxA

0.42

0.35

10.40

1.86

CNFpred

TVTIIAQYKPEEYSR-FEAKIHDLRELMNSSLGSGTASLRSNPK----RGFYIRALFDYDKTKDCGFLSQALSFRFGDVLHVIDAGDEEWWQARRVHSDSETDDIGFIPSKRRVERREWSRLKAKDWGSSSGSQGRE--------------------DSVLSYE

6w2jA

0.06

0.05

2.13

0.83

DEthreader

TKMLTKRGQNIGPVTCNLRSNIQFCIIEV---NARLSSSAATPSLDY----------------PSIEGGFSDRRLKKNIHPWVKQIYL-YVTYNGQ----------EERILIYHCIIPNNLAPIDAEDRSIFSLMDAVSHPPIIPADYEGHTFLMIPQGILVSS

(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	0.5982

(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 DeepPotential, 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	2xkxA	0.61	3.64	0.391	0.799	model1_2xkxA.pdb.gz
2	1kjwA1	0.50	2.22	0.549	0.555	model1_1kjwA1.pdb.gz
3	4zhjA	0.47	5.36	0.057	0.854	model1_4zhjA.pdb.gz
4	1n6fA	0.46	5.66	0.081	0.842	model1_1n6fA.pdb.gz
5	5fnoA	0.44	5.12	0.088	0.762	model1_5fnoA.pdb.gz
6	3tswB	0.44	3.68	0.185	0.592	model1_3tswB.pdb.gz
7	5fx8A	0.44	5.15	0.051	0.756	model1_5fx8A.pdb.gz
8	4mruA	0.44	5.58	0.072	0.817	model1_4mruA.pdb.gz
9	4f53A	0.43	5.33	0.088	0.780	model1_4f53A.pdb.gz
10	1t3lA	0.43	3.05	0.198	0.518	model1_1t3lA.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:0003824	0.74	catalytic activity
GO:0016301	0.73	kinase activity
GO:0005102	0.69	receptor binding
GO:0004385	0.56	guanylate kinase activity
GO:0035255	0.50	ionotropic glutamate receptor 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	0.93	single-organism process
GO:0009987	0.89	cellular process
GO:0044763	0.88	single-organism cellular process
GO:0016043	0.78	cellular component organization
GO:0032502	0.71	developmental process
GO:0007267	0.63	cell-cell signaling
GO:0051179	0.60	localization
GO:0065007	0.59	biological regulation
GO:0007268	0.58	chemical synaptic transmission
GO:0048856	0.57	anatomical structure development
GO:0050789	0.55	regulation of biological process
GO:0008104	0.54	protein localization
GO:0007163	0.51	establishment or maintenance of cell polarity
GO:1902578	0.50	single-organism localization
GO:0048731	0.50	system development
GO:0045197	0.50	establishment or maintenance of epithelial cell apical/basal polarity

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	1.00	membrane
GO:0044459	0.92	plasma membrane part
GO:0044424	0.87	intracellular part
GO:0032991	0.76	macromolecular complex
GO:0043226	0.73	organelle
GO:0043234	0.72	protein complex
GO:0098797	0.69	plasma membrane protein complex
GO:0043229	0.69	intracellular organelle
GO:0098590	0.67	plasma membrane region
GO:0034702	0.67	ion channel complex
GO:0043232	0.58	intracellular non-membrane-bounded organelle
GO:0016323	0.58	basolateral plasma membrane
GO:0097458	0.57	neuron part
GO:0044456	0.57	synapse part
GO:0097060	0.53	synaptic membrane
GO:0014069	0.53	postsynaptic density
GO:0045211	0.52	postsynaptic membrane
GO:0005886	0.52	plasma membrane
GO:0008328	0.51	ionotropic glutamate receptor complex

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	1xjjA	0.418	5.55	0.057	0.780	1.17.4.1	NA
2	0.060	1l1lA	0.393	5.53	0.035	0.720	1.17.4.2	NA
3	0.060	1w27A	0.393	5.30	0.048	0.695	4.3.1.24	NA
4	0.060	1wdlA	0.406	5.26	0.058	0.726	5.3.3.8 5.1.2.3 4.2.1.17 1.1.1.35	NA
5	0.060	2z60A	0.261	5.08	0.036	0.451	2.7.10.2	95

	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	0.17	3uatA	0.454	1.26	0.823	0.482	0.16	III	complex1.pdb.gz	55,56,89,90,91,108
2	0.03	1t3lA	0.428	3.05	0.198	0.518	0.22	III	complex2.pdb.gz	64,71,93,94,115,118
3	0.01	1vytA	0.285	5.72	0.032	0.555	0.19	III	complex3.pdb.gz	59,72,114
4	0.01	1be9A	0.233	4.63	0.064	0.378	0.37	III	complex4.pdb.gz	77,78,79,80,81,82,83,93
5	0.01	2ka9A	0.242	5.85	0.044	0.469	0.21	III	complex5.pdb.gz	51,52,53,54,55,63
6	0.01	3o0oA	0.435	5.29	0.038	0.768	0.13	GDP	complex6.pdb.gz	60,61,71
7	0.01	1j7eA	0.405	5.32	0.029	0.707	0.11	JY	complex7.pdb.gz	73,77,80,99
8	0.01	1xjgA	0.398	5.57	0.013	0.726	0.13	UDP	complex8.pdb.gz	59,60,71
9	0.01	3o0qA	0.407	5.67	0.013	0.780	0.18	ADN	complex9.pdb.gz	71,72,73
10	0.01	1pdr1	0.208	4.13	0.063	0.299	0.27	III	complex10.pdb.gz	72,73,74,107

	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, Qiqige Wuyun, Yang Li, Quancheng Liu, Xiaogen Zhou, Yiheng Zhu, P. Lydia Freddolino, Yang Zhang. Integrating deep learning potentials with I-TASSER for single- and multi-domain protein structure prediction. Submitted. 2023.