D-I-TASSER Q8IX95-D1

D-I-TASSER results for Q8IX95-D1

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

Input Sequence in FASTA format

>Q8IX95 (158 residues)
MTFKGFQMNEEKLEIGIQDASSENCQLQESQKQLLQEAEVWKEQVSELNKQKITFEDSKV
HAEQVLNDKENHIETLTERLLKIKDQAAVLEEDITDDGNLELEMNSELKDGAYLDNPPKG
ALKKLIHAAKLNASLTTLEGERNQFIFSYLKLIKPGRA

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| MTFKGFQMNEEKLEIGIQDASSENCQLQESQKQLLQEAEVWKEQVSELNKQKITFEDSKVHAEQVLNDKENHIETLTERLLKIKDQAAVLEEDITDDGNLELEMNSELKDGAYLDNPPKGALKKLIHAAKLNASLTTLEGERNQFIFSYLKLIKPGRA
Prediction	CCCCHHHCCHHHHHHHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHHHHHHHHHCC
Confidence	95104322478999998999999887464199999999999999999999999999999999999984688899999988861330444112257888743323343335665663158899999999873130126689999999999998764139
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| MTFKGFQMNEEKLEIGIQDASSENCQLQESQKQLLQEAEVWKEQVSELNKQKITFEDSKVHAEQVLNDKENHIETLTERLLKIKDQAAVLEEDITDDGNLELEMNSELKDGAYLDNPPKGALKKLIHAAKLNASLTTLEGERNQFIFSYLKLIKPGRA
Prediction	64143251456404540551465345167445414531651554255156435425524541453144455415403521341451554356645677334353555355364357643541341132141424053246235413452252356568
	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

                   |                   |                   |                   |                   |                   |                   |

SS
Seq

CCCCHHHCCHHHHHHHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHHHHHHHHHCC
MTFKGFQMNEEKLEIGIQDASSENCQLQESQKQLLQEAEVWKEQVSELNKQKITFEDSKVHAEQVLNDKENHIETLTERLLKIKDQAAVLEEDITDDGNLELEMNSELKDGAYLDNPPKGALKKLIHAAKLNASLTTLEGERNQFIFSYLKLIKPGRA

6z9lA4

0.08

3.21

1.33

DEthreader

AEKVKAEKEQAAKEAELANKQKEEAKAKDQKTKDDQAVADQQTVVTTSQEKVTDAKADTAAKQADLTAKENALKDKQAATKQAQNTLDNSKEELKGHKGMKSKEELQQE--IASNEKLATAQQAESDAQQARSASQQALNTAKTTQATAEKELSVHKA

6yvuB

0.13

4.41

0.99

SPARKS-K

MKFQESLKKVDEIKAQRKEIKDRISSCSSKEKTLVLERRELEGTRVSLEERTKNLVSKMEKAEKTLKSTKHSISEAENMLEELRGQQTEHETEIKDLTQLLEKERSILDDIKLSLKDKTKNISAEIIRHEKEL--EPWDLQLQEKESQIQLAESELSL

6djlB

0.10

0.09

3.52

0.87

MapAlign

QGELEKLNQSTDDINRRETELEDARQKFRSVLVEATVKLDELVKKIEDSKPYWEARRVARQAQLEAQKATQDFQRATEVLRAAKETISLAEQRLLEDDKRQFDSAWQEM--LNHATQRVMEAEQTKTRSELV--HKETAARYNAAMGRMRQLEKK---

6ewyA

0.08

2.99

0.56

CEthreader

----------DPQTDTIAALIADVAKANQRLQDLSDEVQAEQESVNKAMVDVETARDNAAAAEDDLEVSQRAVKDANAAIAAAQHRFDTFAAATSSPDEIIATVTAAKTLSASSQAVMANLQRARTERVNTESAARLAKQKADKAAADAKASQDAAVA

3na7A1

0.17

0.13

4.18

0.76

MUSTER

-------------------LEPLIREKRKDLDKALNDKEAKNKAILNLEEEKLALKLQVSKNEQTLQDTNAKIASIQKKMSEIKS-----ERELR-------SLNIEEDIAKERSNQANREIENLQNEIK------RKSEKQEDLKKEMLELEKLALE

2zxxB

0.14

0.06

1.95

0.68

HHsearch

PSSQYWKEVAEQRRKALYEALKENEKLHKEIEQKDSEIARLRKENKDLAEVAEHVQY--AEVIER----------LS---------------------------------------------------------------------------------

2tmaA

0.11

3.87

0.96

FFAS-3D

--LEEAEKAADESERGMKVIESRAQKDEEKMEIQEIQLKEAKHIAEDADRKYEEVARKLVIIESDLERAEERAELSEGKCAELEEEIKTVTNNLKSLEAQAEKYSQKEDKYEEEIKVLSDKLKEAETAEFAERSVTKLEKSIDDLEDELYAQKLK---

4akvA

0.08

3.02

0.82

EigenThreader

FIEKRKRRLILWMDHMTSGFQHFLSCQWKMGKRRAEKASFLLTVDTFKAFSKKMDDSVLQLSTVASELVRKHVGFRKEFQKLGSAFQAISHSFQMDPPFCSEALNSAI-----SHTGRTYEAIGEMFAEQPKNDLFQMLDTLSLYQGLLSNFPDIIHL

5xg2A

0.12

0.11

4.05

0.67

CNFpred

--IRAREEERNALVVRLGEIDRTFAVAREEFDTVVKELEEARKSLYEGEARIKRAEEEKERLKAEILTGEARLPGLRERAENLRRLVEEKRAEISEL--QSFELRIKLSDLEKELELARKDLEKVLAERAVREEIEVAKRRINELDTLIERERGELAK

6z9lA

0.08

3.21

1.33

DEthreader

AEKVKAEKEQAAKEAELANKQKEEAKAKDQKTKDDQAVADQQTVVTTSQEKVTDAKADTAAKQADLTAKENALKDKQAATKQAQNTLDNSKEELKGHKGMKSKEELQQE--IASNEKLATAQQAESDAQQARSASQQALNTAKTTQATAEKELSVHKA

(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	0.5841

(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	6ewyA	0.76	2.99	0.095	0.937	model1_6ewyA.pdb.gz
2	5nnvA	0.74	3.31	0.128	0.987	model1_5nnvA.pdb.gz
3	6ek7A	0.74	3.14	0.105	0.968	model1_6ek7A.pdb.gz
4	6z9lA	0.74	3.09	0.077	0.962	model1_6z9lA.pdb.gz
5	5xg2A	0.73	3.23	0.110	0.981	model1_5xg2A.pdb.gz
6	4tkoB	0.70	3.10	0.111	0.924	model1_4tkoB.pdb.gz
7	6h2xA	0.69	3.26	0.114	0.873	model1_6h2xA.pdb.gz
8	6yvuB	0.68	3.72	0.096	0.987	model1_6yvuB.pdb.gz
9	5wjtA	0.66	3.27	0.085	0.873	model1_5wjtA.pdb.gz
10	3u0cA	0.66	3.09	0.060	0.854	model1_3u0cA.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:0008047	0.86	enzyme activator 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:0009987	0.96	cellular process
GO:0051649	0.94	establishment of localization in cell
GO:0051641	0.94	cellular localization
GO:0046907	0.93	intracellular transport
GO:0016043	0.93	cellular component organization
GO:0044763	0.92	single-organism cellular process
GO:0015031	0.92	protein transport
GO:0044765	0.91	single-organism transport
GO:0022607	0.91	cellular component assembly
GO:0035459	0.90	cargo loading into vesicle
GO:0006888	0.90	ER to Golgi vesicle-mediated transport
GO:0006886	0.88	intracellular protein transport
GO:0070973	0.87	protein localization to endoplasmic reticulum exit site
GO:0032527	0.87	protein exit from endoplasmic reticulum
GO:0065007	0.57	biological regulation
GO:0050789	0.57	regulation of biological process
GO:0043087	0.52	regulation of GTPase activity
GO:1905097	0.50	regulation of guanyl-nucleotide exchange factor 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 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	0.97	intracellular part
GO:0044422	0.96	organelle part
GO:0044446	0.95	intracellular organelle part
GO:0044444	0.95	cytoplasmic part
GO:0016020	0.95	membrane
GO:0070971	0.91	endoplasmic reticulum exit site
GO:0044425	0.60	membrane part
GO:0005789	0.53	endoplasmic reticulum membrane

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	3czoB	0.452	3.60	0.067	0.620	4.3.1.3	NA
2	0.060	2iw5A	0.580	3.96	0.083	0.835	1.-.-.-	NA
3	0.060	1mc0A	0.350	4.11	0.028	0.538	3.1.4.17	NA
4	0.060	2zr3B	0.454	4.10	0.066	0.646	6.1.1.11	NA
5	0.060	2b5uA	0.605	2.70	0.065	0.728	3.1.-.-	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:

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	1ujw1	0.556	2.81	0.081	0.696	0.34	III	complex1.pdb.gz	78,79,80,81,84,119,125
2	0.01	2hdi1	0.269	4.15	0.066	0.380	0.14	III	complex2.pdb.gz	105,106,110,113
3	0.01	1h8bA	0.188	4.01	0.078	0.266	0.18	III	complex3.pdb.gz	99,101,102,105,106,109

	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.