D-I-TASSER Q9H306-D2

D-I-TASSER results for Q9H306-D2

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

Input Sequence in FASTA format

>Q9H306 (252 residues)
GLPKEPAKPKEPTIPHACDPDLTFDAITTFRREVMFFKGRHLWRIYYDITDVEFELIASF
WPSLPADLQAAYENPRDKILVFKDENFWMIRGYAVLPDYPKSIHTLGFPGRVKKIDAAVC
DKTTRKTYFFVGIWCWRFDEMTQTMDKGFPQRVVKHFPGISIRVDAAFQYKGFFFFSRGS
KQFEYDIKTKNITRIMRTNTWFQCKEPKNSSFGFDINKEKAHSGGIKILYHKSLSLFIFG
IVHLLKNTSIYQ

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 \| \| \| \| \| \| \| \| \| \| \| \| GLPKEPAKPKEPTIPHACDPDLTFDAITTFRREVMFFKGRHLWRIYYDITDVEFELIASFWPSLPADLQAAYENPRDKILVFKDENFWMIRGYAVLPDYPKSIHTLGFPGRVKKIDAAVCDKTTRKTYFFVGIWCWRFDEMTQTMDKGFPQRVVKHFPGISIRVDAAFQYKGFFFFSRGSKQFEYDIKTKNITRIMRTNTWFQCKEPKNSSFGFDINKEKAHSGGIKILYHKSLSLFIFGIVHLLKNTSIYQ
Prediction	CCCCCCCCCCCCCCCCCCCCCCCSSSSSSCCCSSSSSSCCSSSSSCCCCCCCCCCCHHHHCCCCCCCCCSSSSSCCCSSSSSSCCSSSSSSCCSCCCCCCSSHHHCCCCCCCCCSSSSSSSCCCCSSSSSSCCSSSSSSCCCCSCCCCCCCCHHHCCCCCCCCCCSSSSSCCSSSSSSCCSSSSSSCCCCSSSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSSCCCSHHHHHHHHHHHHCCCCCC
Confidence	969899999999999767999753489960996999979889998499667886316652678999852689948991999958889999187516899844155199999997369999579997999958989999688873269998534544799999974889959979999889699994674314412554435589997788888997765556777413324551145777777731022369
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 \| \| \| \| \| \| \| \| \| \| \| \| GLPKEPAKPKEPTIPHACDPDLTFDAITTFRREVMFFKGRHLWRIYYDITDVEFELIASFWPSLPADLQAAYENPRDKILVFKDENFWMIRGYAVLPDYPKSIHTLGFPGRVKKIDAAVCDKTTRKTYFFVGIWCWRFDEMTQTMDKGFPQRVVKHFPGISIRVDAAFQYKGFFFFSRGSKQFEYDIKTKNITRIMRTNTWFQCKEPKNSSFGFDINKEKAHSGGIKILYHKSLSLFIFGIVHLLKNTSIYQ
Prediction	864753563762741530456130000022642000012320020244345442220352044024403010216732000012320020354524541124037121344163010000037632000013530020146554136522440353052136401000115420000125400201364462343442420030343555665453565544344342243320100100101002334628
	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 DeepPotential. 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

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

SS
Seq

CCCCCCCCCCCCCCCCCCCCCCCSSSSSSCCCSSSSSSCCSSSSSCCCCCCCCCCCHHHHCCCCCCCCCSSSSSCCCSSSSSSCCSSSSSSCCSCCCCCCSSHHHCCCCCCCCCSSSSSSSCCCCSSSSSSCCSSSSSSCCCCSCCCCCCCCHHHCCCCCCCCCCSSSSSCCSSSSSSCCSSSSSSCCCCSSSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSSCCCSHHHHHHHHHHHHCCCCCC
GLPKEPAKPKEPTIPHACDPDLTFDAITTFRREVMFFKGRHLWRIYYDITDVEFELIASFWPSLPADLQAAYENPRDKILVFKDENFWMIRGYAVLPDYPKSIHTLGFPGRVKKIDAAVCDKTTRKTYFFVGIWCWRFDEMTQTMDKGFPQRVVKHFPGISIRVDAAFQYKGFFFFSRGSKQFEYDIKTKNITRIMRTNTWFQCKEPKNSSFGFDINKEKAHSGGIKILYHKSLSLFIFGIVHLLKNTSIYQ

4fu4A

0.42

0.34

9.92

1.17

DEthreader

YIMDAAHDHSKDPTPDKCDPSLSLDAITSLRGETMIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPHDLIFIFRGRKFWALNGYDILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLIEEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC------------------------------------------------

1pexA

0.45

0.34

9.87

3.28

SPARKS-K

-------------TPDKCDPSLSLDAITSLRGETMIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPHDLIFIFRGRKFWALNGYDILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLIEEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC------------------------------------------------

3c7xA

0.30

0.23

6.85

0.79

MapAlign

--------------PNIC--DGNFDTVAMLRGEMFVFKERWFWRVR-NNQVMYPMPIGQFWRGLPASINTAYERKDGKFVFFKGDKHWVFDEASLEPGYPKHIKELGRGLPTDKIDAALFWMPNGKTYFFRGNKYYRFNEELRAVDSEYPKNIK-VWEGIPESPRGSFMGEVFTYFYKGNKYWKFNNQKLKVEYPKSARDWMGCP-----------------------------------------------

4fu4A

0.44

0.36

10.45

0.64

CEthreader

GPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGETMIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSDLIFIFRGRKFWALNGYDILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLIEEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC------------------------------------------------

4fu4A

0.44

0.36

10.45

2.11

MUSTER

GPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGETMIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPHDLIFIFRGRKFWALNGYDILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLIEEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC------------------------------------------------

4fu4A

0.43

0.35

10.23

2.75

HHsearch

GPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGETMIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPHDLIFIFRGRKFWALNGYDILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLIEEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIRVMP-ANSILWC------------------------------------------------

1pexA

0.44

0.33

9.76

2.13

FFAS-3D

-------------TPDKCDPSLSLDAITSLRGETMIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDIFIFRGRKFWALNGYDILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLIEEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC------------------------------------------------

4fu4A

0.44

0.35

10.35

1.03

EigenThreader

GPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGETMIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDIFIFRGRKFWALNGYDILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLIEEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC------------------------------------------------

4fu4A

0.44

0.36

10.45

4.21

CNFpred

GPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGETMIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPHDLIFIFRGRKFWALNGYDILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLIEEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC------------------------------------------------

1su3B

0.43

0.35

10.13

1.17

DEthreader

AIMAFEHSHSTDITPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFARDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANS-WF------------------------------------N------------

(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	0.7132

(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 DeepPotential, 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	4fu4A	0.80	0.79	0.441	0.809	model1_4fu4A.pdb.gz
2	1su3B	0.77	1.70	0.463	0.806	model1_1su3B.pdb.gz
3	1pexA	0.75	0.77	0.445	0.758	model1_1pexA.pdb.gz
4	1gxdA2	0.72	1.90	0.303	0.786	model1_1gxdA2.pdb.gz
5	3c7xA	0.69	1.91	0.296	0.750	model1_3c7xA.pdb.gz
6	1qjsA1	0.65	2.69	0.198	0.738	model1_1qjsA1.pdb.gz
7	1itvA2	0.38	2.04	0.221	0.413	model1_1itvA2.pdb.gz
8	3ba0A3	0.35	0.85	0.438	0.353	model1_3ba0A3.pdb.gz
9	1go7P	0.32	5.97	0.018	0.548	model1_1go7P.pdb.gz
10	3hnpA2	0.28	6.18	0.029	0.480	model1_3hnpA2.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	0.97	catalytic activity
GO:0008233	0.96	peptidase activity
GO:0070011	0.94	peptidase activity, acting on L-amino acid peptides
GO:0008237	0.91	metallopeptidase activity
GO:0004175	0.89	endopeptidase activity
GO:0004222	0.85	metalloendopeptidase activity
GO:0046872	0.74	metal ion binding
GO:0004252	0.71	serine-type endopeptidase activity
GO:0008270	0.69	zinc ion binding
GO:0005509	0.50	calcium ion 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	0.95	single-organism process
GO:0009987	0.94	cellular process
GO:0044763	0.91	single-organism cellular process
GO:0008152	0.81	metabolic process
GO:0071704	0.80	organic substance metabolic process
GO:0065007	0.80	biological regulation
GO:0043170	0.79	macromolecule metabolic process
GO:0032501	0.79	multicellular organismal process
GO:0044707	0.78	single-multicellular organism process
GO:0050789	0.77	regulation of biological process
GO:0016043	0.77	cellular component organization
GO:0050794	0.75	regulation of cellular process
GO:0030198	0.74	extracellular matrix organization
GO:0022617	0.71	extracellular matrix disassembly
GO:0044238	0.70	primary metabolic process
GO:0032502	0.70	developmental process
GO:0044767	0.69	single-organism developmental process
GO:0044710	0.69	single-organism metabolic process
GO:0009056	0.69	catabolic process
GO:0044712	0.68	single-organism catabolic process
GO:0030574	0.67	collagen catabolic process
GO:0048518	0.66	positive regulation of biological process
GO:0019538	0.66	protein metabolic process
GO:0050896	0.65	response to stimulus
GO:0006508	0.65	proteolysis
GO:0048856	0.63	anatomical structure development
GO:0048522	0.63	positive regulation of cellular process
GO:0009653	0.61	anatomical structure morphogenesis
GO:0006928	0.58	movement of cell or subcellular component
GO:0048583	0.57	regulation of response to stimulus
GO:0006950	0.57	response to stress
GO:0048523	0.56	negative regulation of cellular process
GO:0048513	0.56	animal organ development
GO:0016477	0.56	cell migration
GO:0048869	0.54	cellular developmental process
GO:0051239	0.52	regulation of multicellular organismal process
GO:0023051	0.52	regulation of signaling
GO:0010646	0.52	regulation of cell communication
GO:0031323	0.51	regulation of cellular metabolic process
GO:0009966	0.51	regulation of signal transduction
GO:0009628	0.51	response to abiotic stimulus
GO:0080090	0.50	regulation of primary metabolic process
GO:0060255	0.50	regulation of macromolecule metabolic process
GO:0002682	0.50	regulation of immune system 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	0.78	cell part
GO:0044424	0.63	intracellular part
GO:0044421	0.62	extracellular region part
GO:0044444	0.47	cytoplasmic part
GO:0005576	0.42	extracellular region
GO:0005615	0.39	extracellular space
GO:0044422	0.36	organelle part
GO:0044446	0.35	intracellular organelle part
GO:0043226	0.34	organelle
GO:0043227	0.33	membrane-bounded organelle
GO:0044425	0.31	membrane 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	0.220	2jxyA	0.678	2.35	0.427	0.762	3.4.24.65	136
2	0.090	1fblA	0.776	1.36	0.485	0.809	3.4.24.7	NA
3	0.067	1su3B	0.766	1.70	0.463	0.806	3.4.24.7	NA
4	0.060	1y9mA	0.579	4.28	0.030	0.802	3.2.1.80	160
5	0.060	2h2nA	0.552	3.92	0.057	0.714	3.6.1.6	136

	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	0.10	1gxd3	0.731	2.33	0.294	0.809	0.91	III	complex1.pdb.gz	126,128,135,137,142,146,151,157,158,159,162
2	0.04	1itv0	0.690	1.92	0.265	0.750	0.50	III	complex2.pdb.gz	57,63,64,65,66,86,88,100,102
3	0.04	1hxnA	0.659	2.32	0.238	0.734	0.77	NA	complex3.pdb.gz	26,69,70,116,117
4	0.03	1qjs0	0.683	3.56	0.172	0.825	0.69	III	complex4.pdb.gz	132,133,134

	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, Qiqige Wuyun, Yang Li, Quancheng Liu, Xiaogen Zhou, Yiheng Zhu, P. Lydia Freddolino, Yang Zhang. Integrating deep learning potentials with I-TASSER for single- and multi-domain protein structure prediction. Submitted. 2023.