D-I-TASSER Q92956-D1

D-I-TASSER results for Q92956-D1

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

Input Sequence in FASTA format

>Q92956 (181 residues)
MEPPGDWGPPPWRSTPKTDVLRLVLYLTFLGAPCYAPALPSCKEDEYPVGSECCPKCSPG
YRVKEACGELTGTVCEPCPPGTYIAHLNGLSKCLQCQMCDPAMGLRASRNCSRTENAVCG
CSPGHFCIVQDGDHCAACRAYATSSPGQRVQKGGTESQDTLCQNCPPGTFSPNGTLEECQ
H

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 \| \| \| \| \| \| \| \| \| MEPPGDWGPPPWRSTPKTDVLRLVLYLTFLGAPCYAPALPSCKEDEYPVGSECCPKCSPGYRVKEACGELTGTVCEPCPPGTYIAHLNGLSKCLQCQMCDPAMGLRASRNCSRTENAVCGCSPGHFCIVQDGDHCAACRAYATSSPGQRVQKGGTESQDTLCQNCPPGTFSPNGTLEECQH
Prediction	CCCCCCCCCCCCCCCCCCHHHHHHHHHHHCCCCCCCCCCCCCCCCCSSCCCSSCCCCCCCSSSCCCCCCCCCCCSCSCCCCSSCCCCCCCCCCCCCCCCCCCCCCSSSCCCCCCCCCSSCCCCCCSSCCCCCCCCCSCCCCCCCCCCCSSSCCCCCCCCCCCCCCCCCCSCCCCCCCCCCC
Confidence	9898888899856577641145444432113454577788899981713886306899971633568999998311369993517889999775788778888717734888888850117998453479999763346787589982685168898897113599980408893211369
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 \| \| \| \| \| \| \| \| \| MEPPGDWGPPPWRSTPKTDVLRLVLYLTFLGAPCYAPALPSCKEDEYPVGSECCPKCSPGYRVKEACGELTGTVCEPCPPGTYIAHLNGLSKCLQCQMCDPAMGLRASRNCSRTENAVCGCSPGHFCIVQDGDHCAACRAYATSSPGQRVQKGGTESQDTLCQNCPPGTFSPNGTLEECQH
Prediction	8622643444423434403002000000011023334435415744145434015516555224541574463414535533124433436414313413443434344413444543141454311436435303313423514414323551466433415614613024764355458
	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                 180

                   |                   |                   |                   |                   |                   |                   |                   |                   |

SS
Seq

CCCCCCCCCCCCCCCCCCHHHHHHHHHHHCCCCCCCCCCCCCCCCCSSCCCSSCCCCCCCSSSCCCCCCCCCCCSCSCCCCSSCCCCCCCCCCCCCCCCCCCCCCSSSCCCCCCCCCSSCCCCCCSSCCCCCCCCCSCCCCCCCCCCCSSSCCCCCCCCCCCCCCCCCCSCCCCCCCCCCC
MEPPGDWGPPPWRSTPKTDVLRLVLYLTFLGAPCYAPALPSCKEDEYPVGSECCPKCSPGYRVKEACGELTGTVCEPCPPGTYIAHLNGLSKCLQCQMCDPAMGLRASRNCSRTENAVCGCSPGHFCIVQDGDHCAACRAYATSSPGQRVQKGGTESQDTLCQNCPPGTFSPNGTLEECQH

3cm9S

0.08

0.07

2.61

0.83

DEthreader

TSVNRHTRKYWCITLSKAIQGTQLLFSV-VIN-LDAQVLKPEPELVFCFLPSFSV-------DAGRYLEGSPIQAWQLPSVWLWEGAQNGRCPLLVVILNQ--------YWTVEIKIIEGP-KHFP----------CKFSYKYWCK-LPSAFVNCDENSRLVSLTLLVTDEGYWCGG-Y--

5dmjA

0.33

0.25

7.63

3.95

SPARKS-K

---------------------------------------TACREKQYLINSQCCSLCQPGQKLVSDCTEFTETECLPCGESEFLDTWNRETHCHQHKYCDPNLGLRVQQKGTSETDTICTCEEGWHCTS---EACESCVLHRSCSPGFGVKQIATGVSDTICEPCPVGFFSDVSAFEKCHP

3alqR

0.35

0.27

7.93

0.97

MapAlign

----------------------------------------TCRLREYYDAQMCCSKCSPGQHAKVFCTKTSDTVCDSCEDSTYTQLWNWVPECLSCGRCS--SDQVETQACTREQNRICTCRPGWYCALSKQEGCRLCAPLRKCRPGFGVARPGTETSDVVCKPCAPGTFSNTTSSDICRP

3alqR

0.34

0.26

7.78

0.80

CEthreader

----------------------------------------TCRLREYYDQTMCCSKCSPGQHAKVFCTKTSDTVCDSCEDSTYTQLWNWVPECLSCGSRC-SSDQVETQACTREQNRICTCRPGWYCALSKQEGCRLCAPLRKCRPGFGVARPGTETSDVVCKPCAPGTFSNTTSTDICRP

5dmjA

0.33

0.25

7.63

2.13

MUSTER

---------------------------------------TACREKQYLINSQCCSLCQPGQKLVSDCTEFTETECLPCGESEFLDTWNRETHCHQHKYCDPNLGLRVQQKGTSETDTICTCEEGWHCTSEA---CESCVLHRSCSPGFGVKQIATGVSDTICEPCPVGFFSDVSAFEKCHP

3alqR

0.35

0.27

7.93

1.90

HHsearch

----------------------------------------TCRLREYYDAQMCCSKCSPGQHAKVFCTKTSDTVCDSCEDSTYTQLWNWVPECLSCGRCSS--DQVETQACTREQNRICTCRPGWYCALSKQEGCRLCAPLRKCRPGFGVARPGTETSDVVCKPCAPGTFSNTTSTDICRP

5dmjA

0.33

0.25

7.48

1.21

FFAS-3D

---------------------------------------TACREKQYLINSQCCSLCQPGQKLVSDCTEFTETECLPCGESEFLDTWNRETHCHQHKYCDPNLGLRVQQKGTSETDTICTCEEGWHCTSEACESC---VLHRSCSPGFGVKQIATGVSDTICEPCPVGFFSDSSAFEKCH-

5dmjA

0.29

0.23

6.88

1.10

EigenThreader

--------------------------------------TACREKQYLINSQC-CSLCQPGQKLVSDCTEFTETECLPCGESEFLDTWNRETHCHQHKYCDPNLGLRVQQKGTSETDTICTCEEGWHCTSE---ACESCVLHRSCSPGFGVKQIATGVSDTICEPCPVGFFSDVSSAFEKCH

3alqR

0.35

0.27

7.92

3.23

CNFpred

-----------------------------------------CRLREYYDQQMCCSKCSPGQHAKVFCTKTSDTVCDSCEDSTYTQLWNWVPECLSCGRCSS--DQVETQACTREQNRICTCRPGWYCALSKQEGCRLCAPLRKCRPGFGVARPGTETSDVVCKPCAPGTFSNTTSTDICRP

5u1sA

0.06

0.05

2.15

0.83

DEthreader

TDHSNSISLLKHMWMRNDTLSFFISSFEMDFVKMLLCYLNNDELSLYM-AEADILTMYKFV-E------FQLTLPNKL--GKDI----EYMKNVRVHMW------VMSQ---------FKGMFSTLGIPSLSSTLTSNLRL-NGLSMELIVLILLFHGEENIDFSMLHVQLE---EQIKK-

(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	0.5224

(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	3alqR	0.73	1.28	0.336	0.773	model1_3alqR.pdb.gz
2	3me2R	0.64	2.42	0.285	0.751	model1_3me2R.pdb.gz
3	3k51B	0.62	2.34	0.379	0.729	model1_3k51B.pdb.gz
4	2hevR	0.61	2.86	0.239	0.740	model1_2hevR.pdb.gz
5	2uwiA	0.59	2.51	0.228	0.680	model1_2uwiA.pdb.gz
6	5dmjA	0.58	2.71	0.245	0.668	model1_5dmjA.pdb.gz
7	1extA	0.57	3.46	0.203	0.707	model1_1extA.pdb.gz
8	3urfZ	0.56	3.25	0.231	0.718	model1_3urfZ.pdb.gz
9	3ij2X	0.55	3.22	0.260	0.713	model1_3ij2X.pdb.gz
10	3qd6R	0.54	2.29	0.307	0.630	model1_3qd6R.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:0004872	0.96	receptor activity
GO:0005031	0.95	tumor necrosis factor-activated receptor activity

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:0065007	0.99	biological regulation
GO:0050794	0.98	regulation of cellular process
GO:0050896	0.93	response to stimulus
GO:0042981	0.93	regulation of apoptotic process
GO:0043207	0.92	response to external biotic stimulus
GO:0042127	0.91	regulation of cell proliferation
GO:0006952	0.91	defense response
GO:0044699	0.90	single-organism process
GO:0010033	0.90	response to organic substance
GO:0007165	0.90	signal transduction
GO:0032496	0.89	response to lipopolysaccharide
GO:0002376	0.89	immune system process
GO:0006954	0.88	inflammatory response
GO:0097190	0.87	apoptotic signaling pathway
GO:0006955	0.87	immune response
GO:0048856	0.82	anatomical structure development
GO:0048518	0.82	positive regulation of biological process
GO:0048522	0.80	positive regulation of cellular process
GO:0044767	0.80	single-organism developmental process
GO:0080090	0.77	regulation of primary metabolic process
GO:0060255	0.77	regulation of macromolecule metabolic process
GO:0048583	0.76	regulation of response to stimulus
GO:0051246	0.75	regulation of protein metabolic process
GO:0031325	0.75	positive regulation of cellular metabolic process
GO:0010604	0.75	positive regulation of macromolecule metabolic process
GO:0048584	0.74	positive regulation of response to stimulus
GO:0032270	0.73	positive regulation of cellular protein metabolic process
GO:0031401	0.72	positive regulation of protein modification process
GO:0001932	0.72	regulation of protein phosphorylation
GO:0001934	0.71	positive regulation of protein phosphorylation
GO:0044707	0.70	single-multicellular organism process
GO:0009966	0.70	regulation of signal transduction
GO:1902533	0.69	positive regulation of intracellular signal transduction
GO:0043410	0.68	positive regulation of MAPK cascade
GO:0007275	0.68	multicellular organism development

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:0044425	0.96	membrane part
GO:0044459	0.95	plasma membrane part
GO:0031224	0.93	intrinsic component of membrane
GO:0005887	0.92	integral component of plasma membrane
GO:0044424	0.56	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	7reqD	0.329	6.30	0.064	0.668	5.4.99.2	153
2	0.060	1y2mB	0.415	5.19	0.089	0.713	4.3.1.24	NA
3	0.060	1m6bB	0.406	5.76	0.088	0.740	2.7.10.1	22,83
4	0.060	1bsiA	0.305	6.10	0.019	0.602	3.2.1.1	NA
5	0.060	2pdaA	0.388	6.10	0.037	0.762	1.2.7.1	60

	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	0.44	2aw21	0.491	1.93	0.980	0.552	1.91	III	complex1.pdb.gz	43,44,45,52,53,55,56,58,61,64,68,69,70,71,72,73,74,75,77,87
2	0.37	1jma0	0.432	2.49	0.845	0.514	1.70	III	complex2.pdb.gz	55,56,58,59,60,61,64,72,73,74,75,76,77,112,113,114
3	0.04	1tnr1	0.556	3.24	0.248	0.702	0.96	III	complex3.pdb.gz	92,93,94,95,98,100,101,102,103
4	0.03	1ext0	0.566	3.46	0.203	0.707	0.65	III	complex4.pdb.gz	42,43,44,48,83,92,94,95,100

	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.