D-I-TASSER Q13158-D2

D-I-TASSER results for Q13158-D2

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

Input Sequence in FASTA format

>Q13158 (116 residues)
GEEDLCAAFNVICDNVGKDWRRLARQLKVSDTKIDSIEDRYPRNLTERVRESLRIWKNTE
KENATVAHLVGALRSCQMNLVADLVQEVQQARDLQNRSGAMSPMSWNSDASTSEAS

Predicted Secondary Structure

Sequence	20 40 60 80 100 \| \| \| \| \| GEEDLCAAFNVICDNVGKDWRRLARQLKVSDTKIDSIEDRYPRNLTERVRESLRIWKNTEKENATVAHLVGALRSCQMNLVADLVQEVQQARDLQNRSGAMSPMSWNSDASTSEAS
Prediction	CCHHHHHHHHHHHHHHCCHHHHHHHHHCCCHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHCCCHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCC
Confidence	81379999999999852129999999298999999999977999999999999999994598986999999999909679999999998751233454223655567788866689
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 \| \| \| \| \| GEEDLCAAFNVICDNVGKDWRRLARQLKVSDTKIDSIEDRYPRNLTERVRESLRIWKNTEKENATVAHLVGALRSCQMNLVADLVQEVQQARDLQNRSGAMSPMSWNSDASTSEAS
Prediction	86641551052007403750450034170556315404662564144003405635364547613263215024506252005305624647646546644543546674556658
	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

CCHHHHHHHHHHHHHHCCHHHHHHHHHCCCHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHCCCHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCC
GEEDLCAAFNVICDNVGKDWRRLARQLKVSDTKIDSIEDRYPRNLTERVRESLRIWKNTEKENATVAHLVGALRSCQMNLVADLVQEVQQARDLQNRSGAMSPMSWNSDASTSEAS

2of5L

0.25

0.20

6.15

1.17

DEthreader

MNLFLQSNLLSVAGRLGLDWPAVALHLGVSYREVQRIRHEFRDDLDEQIRHMLFSWAERQAGQGAVGLLVQALEQSDRQDVAEEVRAVLEL-G-----------------------

4o6xA

0.24

0.21

6.43

1.79

SPARKS-K

--ERTDIRMAIVADHLGLSWTELARELNFSVDEINQIRVENPNSLISQSFMLLKKWVTRDGKNATTDALTSVLTKINRIDIVTLLEGPIFDYGNISRSFA----------------

1wxpA

0.23

0.17

5.41

1.11

MapAlign

RDKPVGEQIEVFANKLGEQWKILAPYLEMKDSEIRQIECDSE-DMKMRAKQLLVAWQDQEGVHATPENLINALNKSGLSDLAESLTND----------------------------

1wxpA

0.22

0.19

5.97

0.85

CEthreader

DKPVTGEQIEVFANKLGEQWKILAPYLEMKDSEIRQIECDS-EDMKMRAKQLLVAWQDQEGVHATPENLINALNKSGLSDLAESLTNDNETNSSGPSSG-----------------

2gf5A2

1.00

0.85

23.90

1.75

MUSTER

GEEDLCAAFNVICDNVGKDWRRLARQLKVSDTKIDSIEDRYPRNLTERVRESLRIWKNTEKENATVAHLVGALRSCQMNLVADLVQEVQQARDLQNRSG-----------------

2gf5A2

1.00

0.85

23.90

1.92

HHsearch

GEEDLCAAFNVICDNVGKDWRRLARQLKVSDTKIDSIEDRYPRNLTERVRESLRIWKNTEKENATVAHLVGALRSCQMNLVADLVQEVQQARDLQNRSG-----------------

2gf5A2

1.00

0.84

23.66

1.50

FFAS-3D

GEEDLCAAFNVICDNVGKDWRRLARQLKVSDTKIDSIEDRYPRNLTERVRESLRIWKNTEKENATVAHLVGALRSCQMNLVADLVQEVQQARDLQNRS------------------

1ddfA

0.16

5.19

1.13

EigenThreader

SDVDLSKYITTIAGVMTSQVKGFVRKNGVNEAKIDEIKNDNVQDTAEQKVQLLRNWHQLHGKKEAYDTLIKDLKKANLCTLAEKIQTIILKDITSDSENSNFRNEIQSLVLEHHHH

3ezqB

1.00

0.85

23.90

1.05

CNFpred

GEEDLCAAFNVICDNVGKDWRRLARQLKVSDTKIDSIEDRYPRNLTERVRESLRIWKNTEKENATVAHLVGALRSCQMNLVADLVQEVQQARDLQNRSG-----------------

4o6xA

0.23

0.18

5.68

1.17

DEthreader

-ERT-DIRMAIVADHLGLSWTELARELNFSVDEINQIRVENPNSLISQSFMLLKKWVTRDGKNATTDALTSVLTKINRIDIVTLLEGFDYGNI--S--------------------

(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	0.7783

(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	4o6xA	0.73	2.07	0.229	0.828	model1_4o6xA.pdb.gz
2	2of5L	0.71	1.78	0.239	0.793	model1_2of5L.pdb.gz
3	6ac5A	0.70	1.50	0.315	0.767	model1_6ac5A.pdb.gz
4	2yqfA	0.69	1.42	0.232	0.759	model1_2yqfA.pdb.gz
5	1wxpA	0.65	1.82	0.206	0.741	model1_1wxpA.pdb.gz
6	2of5B	0.65	1.63	0.212	0.733	model1_2of5B.pdb.gz
7	1n3kA	0.65	2.32	0.063	0.793	model1_1n3kA.pdb.gz
8	4d8oA	0.64	0.92	0.229	0.672	model1_4d8oA.pdb.gz
9	3mopA	0.64	2.84	0.146	0.828	model1_3mopA.pdb.gz
10	1ddfA	0.63	2.52	0.122	0.819	model1_1ddfA.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	0.46	catalytic activity
GO:0016740	0.34	transferase activity
GO:0004672	0.32	protein kinase activity
GO:0019899	0.30	enzyme 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	0.98	single-organism process
GO:0044763	0.97	single-organism cellular process
GO:0065007	0.93	biological regulation
GO:0050789	0.92	regulation of biological process
GO:0050794	0.90	regulation of cellular process
GO:0006915	0.77	apoptotic process
GO:0048518	0.76	positive regulation of biological process
GO:0048522	0.72	positive regulation of cellular process
GO:0043067	0.70	regulation of programmed cell death
GO:0048583	0.69	regulation of response to stimulus
GO:0042981	0.69	regulation of apoptotic process
GO:0002376	0.68	immune system process
GO:0051239	0.67	regulation of multicellular organismal process
GO:0048584	0.67	positive regulation of response to stimulus
GO:0048519	0.67	negative regulation of biological process
GO:0044767	0.67	single-organism developmental process
GO:0002682	0.67	regulation of immune system process
GO:0065008	0.66	regulation of biological quality
GO:0050776	0.66	regulation of immune response
GO:0048523	0.66	negative regulation of cellular process
GO:0051240	0.65	positive regulation of multicellular organismal process
GO:0048856	0.65	anatomical structure development
GO:0032879	0.65	regulation of localization
GO:0002684	0.65	positive regulation of immune system process
GO:0001817	0.65	regulation of cytokine production
GO:0050778	0.64	positive regulation of immune response
GO:0001819	0.64	positive regulation of cytokine production
GO:0051270	0.63	regulation of cellular component movement
GO:0043066	0.63	negative regulation of apoptotic process
GO:0042592	0.63	homeostatic process
GO:0042127	0.63	regulation of cell proliferation
GO:0048869	0.62	cellular developmental process
GO:0048513	0.62	animal organ development
GO:0002699	0.62	positive regulation of immune effector process
GO:2000454	0.61	positive regulation of CD8-positive, alpha-beta cytotoxic T cell extravasation
GO:0070236	0.61	negative regulation of activation-induced cell death of T cells
GO:0048538	0.61	thymus development
GO:0048536	0.61	spleen development
GO:0048535	0.61	lymph node development
GO:0043029	0.61	T cell homeostasis
GO:0042104	0.61	positive regulation of activated T cell proliferation
GO:0033077	0.61	T cell differentiation in thymus
GO:0032729	0.61	positive regulation of interferon-gamma production
GO:0001916	0.61	positive regulation of T cell mediated cytotoxicity

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:0044444	0.87	cytoplasmic part
GO:0032991	0.78	macromolecular complex
GO:0043234	0.77	protein complex
GO:0097342	0.74	ripoptosome

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	2rnpC	0.492	3.79	0.075	0.767	2.7.7.6	NA
2	0.060	1mswD	0.495	3.61	0.032	0.741	2.7.7.6	NA
3	0.060	2iukA	0.432	5.21	0.054	0.853	1.13.11.12	10
4	0.060	1ygeA	0.558	4.16	0.087	0.845	1.13.11.12	NA
5	0.060	3ikmC	0.372	4.92	0.029	0.690	2.7.7.7	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:

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	0.03	1d2z0	0.603	2.42	0.170	0.750	0.82	III	complex1.pdb.gz	27,28,54,56,64,71,72,74
	2	0.02	2nsn0	0.500	2.45	0.114	0.638	0.68	III	complex2.pdb.gz	8,11,12,15,16,17,18,22,71,74,75,76,77,78

	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.