D-I-TASSER Q5TEA6-D6

D-I-TASSER results for Q5TEA6-D6

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

Input Sequence in FASTA format

>Q5TEA6 (227 residues)
SCRTAVELYKGVCELGHWAEKFLTAYFAYKDGDIDSSLVQYALLAEMGYEVAQSNSAFIL
ESKKANILEKEKMYPMALLLWNRAAIQGNAFARVKIGDYHYYGYGTKKDYQTAATHYSIA
ANKYHNAQAMFNLAYMYEHGLGITKDIHLARRLYDMAAQTSPDAHIPVLFAVMKLETTHL
LRDILFFNFTTRWNWLKLDNTIGPHWDLFVIGLIVPGLILLLRNHHG

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 \| \| \| \| \| \| \| \| \| \| \| SCRTAVELYKGVCELGHWAEKFLTAYFAYKDGDIDSSLVQYALLAEMGYEVAQSNSAFILESKKANILEKEKMYPMALLLWNRAAIQGNAFARVKIGDYHYYGYGTKKDYQTAATHYSIAANKYHNAQAMFNLAYMYEHGLGITKDIHLARRLYDMAAQTSPDAHIPVLFAVMKLETTHLLRDILFFNFTTRWNWLKLDNTIGPHWDLFVIGLIVPGLILLLRNHHG
Prediction	CHHHHHHHHHHHHHCCCHHHHHHHHHHHHHCCCHHHHHHHHHHHHHCCCHHHHHHHHHHHHHCCCCCCCCCCCHHHHHHHHHHHHHCCCHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHCCCCCCCCCCCCHHHHHHHHHHHHHCCCHHHHHHHHHHHHCCCCCCCCCCC
Confidence	88999999999999199999999999999828999999999999981999999999999992998878864269999999999998199999999999998099999899999999999997099999999999999919997879999999999999719998999999999985899665422137999999999999829999999999999809762578899
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 \| \| \| \| \| \| \| \| \| \| \| SCRTAVELYKGVCELGHWAEKFLTAYFAYKDGDIDSSLVQYALLAEMGYEVAQSNSAFILESKKANILEKEKMYPMALLLWNRAAIQGNAFARVKIGDYHYYGYGTKKDYQTAATHYSIAANKYHNAQAMFNLAYMYEHGLGITKDIHLARRLYDMAAQTSPDAHIPVLFAVMKLETTHLLRDILFFNFTTRWNWLKLDNTIGPHWDLFVIGLIVPGLILLLRNHHG
Prediction	82640250033007333250013002201754116301400230073624600100020023252443526501630252034007342140010002002425414502620150033006544314002010201240431432262024004300733363302200010112232145423543262024004300743344011000101240341543678
	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

                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |

SS
Seq

CHHHHHHHHHHHHHCCCHHHHHHHHHHHHHCCCHHHHHHHHHHHHHCCCHHHHHHHHHHHHHCCCCCCCCCCCHHHHHHHHHHHHHCCCHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHCCCCCCCCCCCCHHHHHHHHHHHHHCCCHHHHHHHHHHHHCCCCCCCCCCC
SCRTAVELYKGVCELGHWAEKFLTAYFAYKDGDIDSSLVQYALLAEMGYEVAQSNSAFILESKKANILEKEKMYPMALLLWNRAAIQGNAFARVKIGDYHYYGYGTKKDYQTAATHYSIAANKYHNAQAMFNLAYMYEHGLGITKDIHLARRLYDMAAQTSPDAHIPVLFAVMKLETTHLLRDILFFNFTTRWNWLKLDNTIGPHWDLFVIGLIVPGLILLLRNHHG

4bujB

0.10

0.09

3.38

1.17

DEthreader

DMTLLTQVHEQSP-N-NLEVLSELSWSKAHMGYMDEALAGLDTVIKIIRALNLWRQAKVYIMKHAS-AK-QENVKCAFKLLIQSIKLTFAPGFSTLGDIYCH-Y--YKDHLRAFKCYFKAFDLDAGDYAAKYITETYASK----PNWQAASSIASRLIKGEKELRNWPFRVIFESWVG-QF-YFEESFQIIICEVSLVSIFENKIDTLLD-STT-------------

6ur7A

0.23

0.22

6.78

1.63

SPARKS-K

KYEQAMTHLMTPDAQKNPAAQNLIGYLYDKGKNAEIANQWYLKAAEQGFAKAQFNLGLSYEKG----TGISKNMVEAVKWYRKAAEQNHAKAEMKMGYLTVEGIGTQKNYKEALQWYRRAAEH-GDNRAYADIGLFYDQGNGVKKDPNRAVQYYIMGAEKG------DGEAQLFLADCYAKASGIPYDADRALYWYKESAKNGNITAMKVLSGIYKQLEKSRHWLEM

2xm6A

0.18

0.17

5.61

0.74

MapAlign

-LTQAMDWFRRAAEQGYTPAEYVLGLRYMEGQDYAQAVIWYKKAALKGLPQAQQNLGVMYHEGN--GVKV--DKAESVKWFRLAAEQGRDSGQQSMGDAYFEGDGVTRDYVMAREWYSKAAEQ-GNVWSCNQLGYMYSRGLGVERNDAISAQWYRKSATSDELGQLHLADMYYTQSRVLFSQSAEQGNSIAQFRLGYILEQKEPLKALEWYRKSGQYYLAHLYDKGA

2xm6A

0.18

0.17

5.48

0.49

CEthreader

DKAESVKWFRLAAEQGRDSGQQSMGDAYFEGRDYVMAREWYSKAAEQGNVWSCNQLGYMYSRGLG----VERNDAISAQWYRKSATSGDELGQLHLADMYYFGIGVTQDYTQSRVLFSQSAE-QGNSIAQFRLGYILEQGLAGAKEPLKALEWYRKSAEQGNSDGQYYLAHLYDKGAEGVAK-----NREQAISWYTKSAEQGDATAQANLGAIYFRLGSEEEHKKA

6dehA

0.22

0.21

6.66

1.35

MUSTER

GYKKAFEWYQKAADQNNADGQYGLGYMYDTPQNSDTAMVWYKKAAEQGNSNAALAIGYNYDTG----TGVKKDKTQALNWYAKAADLGNASAQYNLGLMYEQGDGVPKDYQKAAEYFEKAANQ-GHAKSQLELGYLYDSGKLGKSDLQKAAFWYQKSADLGN-ANAQFNLADMYFYGDG-----VGKSLEQSVYWMQKAAEQGYGKAQNQLGIYYRDGIGVAADPVK

5v7vA

0.16

0.15

4.85

0.80

HHsearch

NIHMAEEILTTSLEISRGRACIDLGLINQYTNNISQAISYYMKAYLNGFIPAIYEFAVMIESGM----NSNDRSEVALWAYSQLAEQGYETAQVSAAYLMYQLRTTDQRKTLAISYYTRAFK-QGNIDAGVVAGDIYFQ----MQNYSKAMALYQGAALKY-SIQAIWNLGYMHE-----HGLGVNRDFHLAKRYYDQVSEHDHRFSKLSVLKLHLKSWLTWIT---

3rjvA

0.15

0.14

4.57

2.52

FFAS-3D

---EPGSQYQQQAEAGDRRAQYYLADTWVSSGDYQKAEYWAQKAAAQGDGDALALLAQLKIRN-----PQQADYPQARQLAEKAVEAGSKSGEIVLARVLVNRQAGATDVAHAITLLQD-AARDSESDAAVDAQLLGASGVHGPEDDVKASEYFKGSSSLSRTGYAEYWAGFQQGEKGFIEP-----NKQKALHWLNVSCLEGFDTGCEEFDRIS------------

6dehA

0.20

6.33

0.77

EigenThreader

GYKKAFEWYQKAADQNNADGQYGLGYMYDTGTGSDTAMVWYKKAAEQGNSNAALAIGYNYDTGTGVKK----DKTQALNWYAKAADLGNASAQYNLGLMYEQGDGVPKDYQKAAEYFEKAANQ-GHAKSQLELGYLYDSGKLGKSDLQKAAFWYQKSADLGNANAQFNLADMYFYGSVYWMQKAAEQGYGKAQNQLGIYYRDGIGAWFTAAKNNRILGQQYTDNYKA

6dehA

0.22

0.21

6.54

1.36

CNFpred

GYKKAFEWYQKAADQNNADGQYGLGYMYDTGQNSDTAMVWYKKAAEQGNSNAALAIGYNYDTGT----GVKKDKTQALNWYAKAADLGNASAQYNLGLMYEQGDGVPKDYQKAAEYFEKAANQ-GHAKSQLELGYLYDSGKLGKSDLQKAAFWYQKSADLG-NANAQFNLADMYFYGD-----GVGKSLEQSVYWMQKAAEQGYGKAQNQLGIYYRAYAWFTAAKNN

2xm6A

0.22

0.18

5.57

1.17

DEthreader

DYAQAVIWYKKAALKGLPQAQQNLGVMYHEGVDKAESVKWFRLAAEQGRDSGQQSMGDAYFEGD-GVT-R--DYVMAREWYSKAAEQGNVWSCNQLGYMYSRGLGVERNDAISAQWYRKSAT-SGDELGQLHLADMYYFGIGVTQDYTQSRVLFSQSAE-QG-N-SIAQFRLGYIQYH-KT---S--NDMNLF-GTE-RN---------------------------

(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	0.8095

(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	6ur7A	0.83	2.06	0.228	0.921	model1_6ur7A.pdb.gz
2	2xm6A	0.83	2.09	0.187	0.916	model1_2xm6A.pdb.gz
3	6dehA	0.82	2.29	0.227	0.929	model1_6dehA.pdb.gz
4	6ok3A	0.81	2.27	0.232	0.903	model1_6ok3A.pdb.gz
5	1ouvA	0.79	2.55	0.161	0.929	model1_1ouvA.pdb.gz
6	6orkA	0.76	2.85	0.214	0.899	model1_6orkA.pdb.gz
7	3e4bC	0.73	3.27	0.116	0.912	model1_3e4bC.pdb.gz
8	6onwA	0.71	3.07	0.145	0.868	model1_6onwA.pdb.gz
9	4bujB	0.70	3.36	0.119	0.890	model1_4bujB.pdb.gz
10	6af0A1	0.69	3.68	0.120	0.885	model1_6af0A1.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	0.69	catalytic activity
GO:0016740	0.61	transferase 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	0.94	cellular process
GO:0071704	0.85	organic substance metabolic process
GO:0044238	0.84	primary metabolic process
GO:0044237	0.84	cellular metabolic process
GO:0043170	0.84	macromolecule metabolic process
GO:0019538	0.81	protein metabolic process
GO:0044699	0.77	single-organism process
GO:0044763	0.74	single-organism cellular process
GO:0044260	0.67	cellular macromolecule metabolic process
GO:0065007	0.66	biological regulation
GO:0051179	0.66	localization
GO:0050896	0.65	response to stimulus
GO:0044710	0.64	single-organism metabolic process
GO:0051234	0.62	establishment of localization
GO:0030163	0.61	protein catabolic process
GO:0006810	0.61	transport
GO:0015031	0.59	protein transport
GO:0050789	0.58	regulation of biological process
GO:0051716	0.56	cellular response to stimulus
GO:0050794	0.56	regulation of cellular process
GO:0044765	0.55	single-organism transport
GO:0010033	0.54	response to organic substance
GO:0044267	0.50	cellular protein metabolic process

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	0.99	intracellular part
GO:0044444	0.92	cytoplasmic part
GO:0043226	0.92	organelle
GO:0043229	0.90	intracellular organelle
GO:0044446	0.89	intracellular organelle part
GO:0043231	0.88	intracellular membrane-bounded organelle
GO:0043234	0.76	protein complex
GO:0044425	0.68	membrane part
GO:0016020	0.66	membrane
GO:1990234	0.63	transferase complex
GO:0044432	0.59	endoplasmic reticulum part
GO:0000151	0.59	ubiquitin ligase complex
GO:0098796	0.54	membrane protein complex
GO:0005783	0.50	endoplasmic reticulum
GO:0000836	0.50	Hrd1p ubiquitin ligase 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	0.172	1w3bB	0.687	3.21	0.118	0.868	2.4.1.-	89,90,116,132
2	0.141	1w3bA	0.684	3.34	0.113	0.872	2.4.1.-	143
3	0.060	1hn0A	0.481	5.85	0.063	0.850	4.2.2.20	NA
4	0.060	1rw9A	0.536	5.31	0.061	0.863	4.2.2.5	NA
5	0.060	1slyA	0.572	4.49	0.067	0.833	4.2.2.-	137,141

	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	0.03	1f59B	0.557	5.41	0.077	0.929	0.60	III	complex1.pdb.gz	57,60,61,97,98,101
2	0.03	1f59B	0.557	5.41	0.077	0.929	0.55	III	complex2.pdb.gz	90,94,97,98,129,133
3	0.03	2qfcA	0.580	4.82	0.068	0.868	0.54	III	complex3.pdb.gz	54,58,91,94,95,98,128,131
4	0.02	1hz40	0.590	4.46	0.072	0.855	0.88	III	complex4.pdb.gz	104,113,132,135,139
5	0.01	1o6pB	0.538	5.22	0.061	0.859	0.84	III	complex5.pdb.gz	82,86,97,116,119,120

	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.