D-I-TASSER Q86UX7-D2

D-I-TASSER results for Q86UX7-D2

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

Input Sequence in FASTA format

>Q86UX7 (298 residues)
FDLDPKTDPVRLTQLYEQARWDLLLEEIDCTEEEMMVFAALQYHINKLSQSGEVGEPAGT
DPGLDDLDVALSNLEVKLEGSAPTDVLDSLTTIPELKDHLRIFRIPRRPRKLTLKGYRQH
WVVFKETTLSYYKSQDEAPGDPIQQLNLKGCEVVPDVNVSGQKFCIKLLVPSPEGMSEIY
LRCQDEQQYARWMAGCRLASKGRTMADSSYTSEVQAILAFLSLQRTGSGGPGNHPHGPDA
SAEGLNPYGLVAPRFQRKFKAKQLTPRILEAHQNVAQLSLAEAQLRFIQAWQSLPDFG

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 \| \| \| \| \| \| \| \| \| \| \| \| \| \| FDLDPKTDPVRLTQLYEQARWDLLLEEIDCTEEEMMVFAALQYHINKLSQSGEVGEPAGTDPGLDDLDVALSNLEVKLEGSAPTDVLDSLTTIPELKDHLRIFRIPRRPRKLTLKGYRQHWVVFKETTLSYYKSQDEAPGDPIQQLNLKGCEVVPDVNVSGQKFCIKLLVPSPEGMSEIYLRCQDEQQYARWMAGCRLASKGRTMADSSYTSEVQAILAFLSLQRTGSGGPGNHPHGPDASAEGLNPYGLVAPRFQRKFKAKQLTPRILEAHQNVAQLSLAEAQLRFIQAWQSLPDFG
Prediction	CCCCCCCCHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCHHHCHHHHHHCCCCCCCCCCCCCSSSSSSSSCCSSSSSCCHHHHCCCCCSSSSCCCSSSSCCCCCCCCCSSSSSSSSCCCCCSSSSSSCCCHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCHHHCCHHHHHHCCCHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHCCCCC
Confidence	9998544424688899875444442013454146789999987765414688855567787640069999899887634887888777666682132447775155665431112332689999398999974867724898427755861995167777871379999516999459999839999999999999998613422332111678888878876445788987777788766567892231480576541544789999999883764014899999999997454579
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 \| \| \| \| \| \| \| \| \| \| \| \| \| \| FDLDPKTDPVRLTQLYEQARWDLLLEEIDCTEEEMMVFAALQYHINKLSQSGEVGEPAGTDPGLDDLDVALSNLEVKLEGSAPTDVLDSLTTIPELKDHLRIFRIPRRPRKLTLKGYRQHWVVFKETTLSYYKSQDEAPGDPIQQLNLKGCEVVPDVNVSGQKFCIKLLVPSPEGMSEIYLRCQDEQQYARWMAGCRLASKGRTMADSSYTSEVQAILAFLSLQRTGSGGPGNHPHGPDASAEGLNPYGLVAPRFQRKFKAKQLTPRILEAHQNVAQLSLAEAQLRFIQAWQSLPDFG
Prediction	7624463441303301620421112451514543100000122204314535545454646543441441055044415444454437424422404320420343434431114103200000341201001247335531323040440303142427753010202143673222010104346104300300320244443445435532541352152444455544554543544466242431024423451645511430151143146242350224004104304738
	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                 200                 220                 240                 260                 280

                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |

SS
Seq

CCCCCCCCHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCHHHCHHHHHHCCCCCCCCCCCCCSSSSSSSSCCSSSSSCCHHHHCCCCCSSSSCCCSSSSCCCCCCCCCSSSSSSSSCCCCCSSSSSSCCCHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCHHHCCHHHHHHCCCHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHCCCCC
FDLDPKTDPVRLTQLYEQARWDLLLEEIDCTEEEMMVFAALQYHINKLSQSGEVGEPAGTDPGLDDLDVALSNLEVKLEGSAPTDVLDSLTTIPELKDHLRIFRIPRRPRKLTLKGYRQHWVVFKETTLSYYKSQDEAPGDPIQQLNLKGCEVVPDVNVSGQKFCIKLLVPSPEGMSEIYLRCQDEQQYARWMAGCRLASKGRTMADSSYTSEVQAILAFLSLQRTGSGGPGNHPHGPDASAEGLNPYGLVAPRFQRKFKAKQLTPRILEAHQNVAQLSLAEAQLRFIQAWQSLPDFG

1dgjA2

0.06

0.04

1.91

0.67

DEthreader

-Q-AWIQHGAAQFAREDVRDWFQKHH-----------G--YK--VD---------AIRGEKTVEEISFKIPRPSAVAKGLAEFGADA----ITGLITFTNKGSAPEAMAPDAIE-PNVYYD-MFSPTM------------------NYTGKRSPFWTTMRETDWSVDHGP---------GDLLTLRGAQY--------HCW--GA----AFRGYGAPESEFPSELM--RNCYLPFDKRPYEESKKRVKE-R---STAEIKRGVGVLTEVVKMVCVADIVDGQIYGGLAQGVGLLSGPS

7c3mA

0.91

0.76

21.31

2.92

SPARKS-K

FDLDPKTDPVRLTQLYEQARWDLLLEEIDCTEEEMMVFAALQYHINKLSQSGGGGGGGPE------LKDHLRIFRIP-----------------------------RRPRKLTLKGYRQHWVVFKETTLSYYKSQDEAPGDPIQQLNLKGCEVVPDVNVSGQKFCIKLLVPSPEGMSEIYLRCQDEQQYARWMAGCRLASKGRTMADSSYTSEVQAILAFL--------------SLQRTGSEGLNPYGLVAPRFQRKFKAKQLTPRILEAHQNVAQLSLAEAQLRFIQAWQSLPDFG

7c3mA

0.93

0.77

21.58

1.21

MapAlign

-DLDPKTDPVRLTQLYEQARWDLLLEEIDCTEEEMMVFAALQYHINKLS-----------------------------------QSGGGGGGGPELKDHLRIFRIPRRPRKLTLKGYRQHWVVFKETTLSYYKSQDEAPGDPIQQLNLKGCEVVPDVNVSGQKFCIKLLVPSPEGMSEIYLRCQDEQQYARWMAGCRLASKGRTMADSSYTSEVQAILAFLSLQR-------------TGSEGLNPYG-LVAPRFQRKFKAKQLTPRILEAHQNVAQLSLAEAQLRFIQAWQSLPDF-

7c3mA

0.98

0.82

22.94

0.97

CEthreader

FDLDPKTDPVRLTQLYEQARWDLLLEEIDCTEEEMMVFAALQYHINKLSQSGGGGGGG-----------------------------------PELKDHLRIFRIPRRPRKLTLKGYRQHWVVFKETTLSYYKSQDEAPGDPIQQLNLKGCEVVPDVNVSGQKFCIKLLVPSPEGMSEIYLRCQDEQQYARWMAGCRLASKGRTMADSSYTSEVQAILAFLSLQRTGS--------------EGLNPYGLVAPRFQRKFKAKQLTPRILEAHQNVAQLSLAEAQLRFIQAWQSLPDFG

2ys3A

0.94

0.43

12.15

0.91

MUSTER

-------------------------------------------------------------------------------------GSSGSSGIPELKDHLRI----FRPRKLTLKGYRQHWVVFKETTLSYYKSQDEAPGDPIQQLNLKGCEVVPDVNVSGQKFCIKLLVPSPEGMSEIYLRCQDEQQYARWMAGCRLASKGRTMADSSYTSEVQAILAFLSLQRT------------------------------------------------------------------------

7c3mA

0.94

0.79

22.04

7.49

HHsearch

FDLDPKTDPVRLTQLYEQARWDLLLEEIDCTEEEMMVFAALQYHINKLSQSGGGG---GGGPELKDH---LRIFR----IP---------------------RR----PRKLTLKGYRQHWVVFKETTLSYYKSQDEAPGDPIQQLNLKGCEVVPDVNVSGQKFCIKLLVPSPEGMSEIYLRCQDEQQYARWMAGCRLASKGRTMADSSYTSEVQAILAFLSLQRTGS-------------E-GLNPYGLVAPRFQRKFKAKQLTPRILEAHQNVAQLSLAEAQLRFIQAWQSLPDFG

7c3mA

0.98

0.82

22.94

1.90

FFAS-3D

FDLDPKTDPVRLTQLYEQARWDLLLEEIDCTEEEMMVFAALQYHINKLSQSGGGGGG-----------------------------------GPELKDHLRIFRIPRRPRKLTLKGYRQHWVVFKETTLSYYKSQDEAPGDPIQQLNLKGCEVVPDVNVSGQKFCIKLLVPSPEGMSEIYLRCQDEQQYARWMAGCRLASKGRTMADSSYTSEVQAILAFLSLQRTGS--------------EGLNPYGLVAPRFQRKFKAKQLTPRILEAHQNVAQLSLAEAQLRFIQAWQSLPDFG

7c3mA

0.79

0.63

17.74

1.22

EigenThreader

FDLDPKTDPVRLTQLYEQARWDLLLEEIDCTEEEMMVFAALQYHINKLSQSGGGGGGG---------------PIFRIPRRPRKLTLKG----------------------------YRHWVVFKETTLSYYKSQDEAPGDPIQQLNLCEVVPDV--NVSGQKFCIKLLVPSPEGM-SEIYLRCQEQQYARWMAGCRLASKGRTMADSSYTSEVQAILAFL------------SLQRTGSEGLNPYG--LVAPRFQRKFKAKQLTPRILEAHQNVAQLSLAEAQLRFIQAWQSLPDFG

4f7hA

0.65

0.28

7.95

1.22

CNFpred

--------------------------------------------------------------------------------------------IPELADYIKVFKP----KKLTLKGYKQYWCTFKDTSISCYKSKEESSGTPAHQMNLRGCEVTPDVNISGQKFNIKLLIPVAEGMNEIWLRCDNEKQYAHWMAACRLASKGKTMADSSYNLEVQNILSFLKMQ--------------------------------------------------------------------------

1dgjA

0.07

0.05

2.20

0.67

DEthreader

AQWIQHGAAFI-RDVRDWFQKHH-----------------GY--KP-VD---DA-AIRGEKTVEEISFIPRPSAVAKVGLAEFGADA----ITGLITFTNKG-APEAMAPDAIE-PNVYYDQMFSPT-------------------YTGKRSPFWTTMRYMETDWSVDHGP---------LLTLRGAQYI-GR--A--HC-W-GAA---FRGYGAPESEFPSEVLM-LNCYLPEFDKRPYEESKKRVKERS----TAEIKRGVGVLTEVVKMVCVADKVDGQIYGGLAQGVGLLSEGI

(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	0.6344

(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	7c3mA	0.79	1.74	0.972	0.836	model1_7c3mA.pdb.gz
2	5w1hA	0.41	5.42	0.055	0.621	model1_5w1hA.pdb.gz
3	2j8sA	0.41	5.66	0.030	0.634	model1_2j8sA.pdb.gz
4	4mt1A	0.41	5.88	0.034	0.648	model1_4mt1A.pdb.gz
5	6hznA	0.40	5.60	0.029	0.621	model1_6hznA.pdb.gz
6	2b3yA	0.40	6.18	0.056	0.641	model1_2b3yA.pdb.gz
7	4bbkA	0.39	1.30	0.595	0.406	model1_4bbkA.pdb.gz
8	1fb8A	0.30	2.31	0.200	0.329	model1_1fb8A.pdb.gz
9	1l5jA	0.30	6.64	0.036	0.517	model1_1l5jA.pdb.gz
10	2dkpA	0.29	2.72	0.135	0.322	model1_2dkpA.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:0050839	0.77	cell adhesion molecule binding
GO:0032403	0.68	protein complex binding
GO:0005102	0.68	receptor binding
GO:0005178	0.67	integrin 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	0.94	single-organism process
GO:0009987	0.90	cellular process
GO:0044763	0.88	single-organism cellular process
GO:0007155	0.87	cell adhesion
GO:0032502	0.79	developmental process
GO:0065007	0.72	biological regulation
GO:0050789	0.71	regulation of biological process
GO:0050794	0.69	regulation of cellular process
GO:0044767	0.68	single-organism developmental process
GO:0009653	0.67	anatomical structure morphogenesis
GO:0031589	0.65	cell-substrate adhesion
GO:0016043	0.65	cellular component organization
GO:0007165	0.60	signal transduction
GO:0022607	0.55	cellular component assembly
GO:0098602	0.54	single organism cell adhesion
GO:0048869	0.54	cellular developmental process
GO:0007166	0.54	cell surface receptor signaling pathway
GO:0034446	0.53	substrate adhesion-dependent cell spreading
GO:0033622	0.53	integrin activation
GO:0007229	0.53	integrin-mediated signaling pathway

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	0.98	cell part
GO:0044424	0.96	intracellular part
GO:0044422	0.81	organelle part
GO:0044446	0.76	intracellular organelle part
GO:0030054	0.65	cell junction
GO:0044444	0.55	cytoplasmic part
GO:0043226	0.54	organelle
GO:0032991	0.54	macromolecular complex
GO:0043229	0.53	intracellular organelle
GO:0043234	0.52	protein complex
GO:0044430	0.50	cytoskeletal 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	2yr4A	0.374	6.38	0.033	0.631	1.13.12.9	NA
2	0.060	2b1xA	0.364	6.16	0.040	0.597	1.14.12.12	272
3	0.060	3ixzA	0.371	6.28	0.045	0.621	3.6.3.10	NA
4	0.060	1itkB	0.375	6.30	0.056	0.641	1.11.1.6 1.11.1.7	NA
5	0.060	3b8eC	0.366	6.62	0.069	0.644	3.6.3.9	98,101

	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	0.08	1mnfA	0.365	6.93	0.074	0.674	0.36	III	complex1.pdb.gz	188,192,196,199
2	0.07	1m6vC	0.375	6.11	0.045	0.634	0.28	ADP	complex2.pdb.gz	145,146,147,148,152,167,179,180
3	0.01	1bxrA	0.375	6.07	0.043	0.627	0.11	ANP	complex3.pdb.gz	120,122,196,198
4	0.01	1jdbE	0.374	5.95	0.041	0.607	0.30	GLN	complex4.pdb.gz	128,148,149,168,196
5	0.01	1dkdD	0.170	5.38	0.049	0.255	0.20	III	complex5.pdb.gz	167,177,196
6	0.01	1a9x3	0.376	6.14	0.049	0.638	0.15	III	complex6.pdb.gz	172,177,178,179
7	0.01	2xelA	0.353	6.82	0.060	0.638	0.16	IA2	complex7.pdb.gz	145,178,197
8	0.01	1lvkA	0.319	7.38	0.065	0.621	0.13	UUU	complex8.pdb.gz	156,167,168,196
9	0.01	1mmaA	0.351	6.78	0.045	0.614	0.13	ADP	complex9.pdb.gz	124,125,126,127,195
10	0.01	1a9x1	0.377	6.07	0.045	0.634	0.25	III	complex10.pdb.gz	116,119,120,177

	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.