D-I-TASSER Q9H3Z7-D2

D-I-TASSER results for Q9H3Z7-D2

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

Input Sequence in FASTA format

>Q9H3Z7 (151 residues)
RTQDDVVSTSGRLRPLSPGDVEGNRGNELLLRLLEHRYPVVMAREGRAVVTRWLRAGSLA
QEAAFYARYRVDEDWCLALLRSYRARCEEELEGEEALGPHGPAFPWLVGQGLSSRRRRRL
ALFLARKHLKNVEATHFSPLEPEEFQLPWRL

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| RTQDDVVSTSGRLRPLSPGDVEGNRGNELLLRLLEHRYPVVMAREGRAVVTRWLRAGSLAQEAAFYARYRVDEDWCLALLRSYRARCEEELEGEEALGPHGPAFPWLVGQGLSSRRRRRLALFLARKHLKNVEATHFSPLEPEEFQLPWRL
Prediction	CCCCCSSSCCCCCCCCCCCCCCCCCHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHCCCHHHHHHHHHHCCCCHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCHHHCCCCCHHHHHHHHHHHHHHHCCCCCCCCCCCCCHHHCCCCCCC
Confidence	9842167437887788876555662469999999975720224126999999996698778999997507887899999999998511233322245777888833633889988999999999999724478989898998885899999
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| RTQDDVVSTSGRLRPLSPGDVEGNRGNELLLRLLEHRYPVVMAREGRAVVTRWLRAGSLAQEAAFYARYRVDEDWCLALLRSYRARCEEELEGEEALGPHGPAFPWLVGQGLSSRRRRRLALFLARKHLKNVEATHFSPLEPEEFQLPWRL
Prediction	8464211024444563455415123024002400542204013663252034105254374343126435154620252044125545544545544464244111300661457422100010033205527142133134731534176
	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

CCCCCSSSCCCCCCCCCCCCCCCCCHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHCCCHHHHHHHHHHCCCCHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCHHHCCCCCHHHHHHHHHHHHHHHCCCCCCCCCCCCCHHHCCCCCCC
RTQDDVVSTSGRLRPLSPGDVEGNRGNELLLRLLEHRYPVVMAREGRAVVTRWLRAGSLAQEAAFYARYRVDEDWCLALLRSYRARCEEELEGEEALGPHGPAFPWLVGQGLSSRRRRRLALFLARKHLKNVEATHFSPLEPEEFQLPWRL

5vylA2

0.10

0.09

3.21

0.51

CEthreader

RTDVAVFDPDVPFLSSSALAVFQPAVSSLLQEQPSAGAQQRLLALLQQTWTLIQNTNSPSVVINTLIDAGFTPSHCTHYLSALEGFLAAGGLG-----------------EVQQLFGCIALAGSNVFGLAREYGYYANYVKTFRRVQGASE

1z3yA

0.11

0.10

3.61

0.65

EigenThreader

PALADLQEQLYNGNEKSQLAAMSTLSGYHLLQEFLK----DSATFWIRGQAYRLLFHSPQHYELAKLFVAEKFEAADRLTTQKLCELAGPLAQKRRWLYQLPIPDLQTI-------DQLWLAFSLGRFKIGWRQGKRWPRYPNEFIWDLSA

2q9qC

0.08

0.07

2.62

0.57

FFAS-3D

--------------------MFCEKAMELIRELHRAPEGQLFNEDGLRQVLEEMKALYEQNQSDVNEAKSGGRLRNRRCTVAYLYDRLLRIRA--LRWEYGSILPNALRFHMAAEEMEWFNNYSLATYMRSLGGDEGLDITQD-MKPP---

5cwjA

0.11

3.85

0.58

SPARKS-K

EEEQERIRRILKEARKSGTEESLRQAIEDVAQLAKKSQDSEVLEEAIRVILRIAKEGSEEALRQAIRAVEADSEVLEEAIRVILRIAKESG--SEEALRQAIRAVAEIAKEAQDPRVLEEAIRVIRQIAEESGSEEARRQAERAEEEIRRR

5dlqA

0.09

0.05

2.01

0.50

CNFpred

-------------------------SLQCLAQLASLH-GPIFPDEQVDYLAHFIEG-----LLNTINGIEIEDSEAVGISSIISNLITV--------------FPRNVLTAIPSELFVNCLTHLTCSFGRSAA------------------

3ecmA

0.07

2.73

1.00

DEthreader

NYWDDIFEATHNRPLILQIESTSADVLHATAYFLSKRIKLDDEVAALIAATIHDVDHGRTNAVLESHADLAKHEHVNKFVNSINKPLATLEENGETKNQEV-IN-TML-RTPE--RT-LIKRMLIKCADVSNPCR--QYCI-IIITMFDAW

2ntyA

0.13

4.39

0.66

MapAlign

EMMKDRFAKLLLGEDMSGGGKGVSSALALSNAITNLALLSVTDGDLLMNIPALRKLQVQKAAMAINAQVEMTEHKVLDLKNRIEASVVIWKRRELFEE-RAETILVLLSKIQFNKDVGQAVLESYSRILESLAYTVMSRIEDVLYTDTLAL

1rmvA

0.11

3.80

0.52

MUSTER

--------SYNITNSNQYQYFAAVEPTPMLNQCVSALSQSYQTQAGRDTVRQQFANLLSTIVAPNGFRVYVNSAVIKPLYEALMKSFDTRNRIIETEEESRPS-ASEVANATQRVDDATVAIRSQIQLLLNELSNGHGYMNRAEFPWTTAP

1vt4I

0.19

0.16

5.15

0.68

HHsearch

LSKQEEMVQKF--------VEEVLRINYKFLMKTEQRQPSMMTRMYIERDRLYNDNQVSLQPRQALLELRPALDVCL----SYKVQCKM----------DFKIFWLNLKNCNSPETVLEMLQKLLYQIDPNWTSDHSSNIKLRIHSIELRR

6lewA1

0.14

0.13

4.49

0.44

CEthreader

AWRNALTGAPLNLTPEQVVAIASHDGGKQALETVQRLLPVLCQAHGPQQVVAIASHDGGKQALETVQRLLASHDGGKQALETVQALLPVLCQAHGLTPEQVVAIASNGGGKIASNGGGKQALETVQRLLPVLCQAHGL-------------

(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	0.7266

(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	3ecmA	0.53	4.85	0.048	0.887	model1_3ecmA.pdb.gz
2	6mzbB	0.52	4.58	0.091	0.834	model1_6mzbB.pdb.gz
3	7jsnA	0.51	4.70	0.068	0.828	model1_7jsnA.pdb.gz
4	7jtvB	0.51	4.53	0.083	0.808	model1_7jtvB.pdb.gz
5	3g45A	0.50	4.64	0.074	0.848	model1_3g45A.pdb.gz
6	1t9sA	0.50	4.70	0.048	0.801	model1_1t9sA.pdb.gz
7	3ibjA3	0.49	4.23	0.050	0.755	model1_3ibjA3.pdb.gz
8	6xiwA	0.49	4.61	0.057	0.815	model1_6xiwA.pdb.gz
9	1sojL	0.49	4.87	0.038	0.821	model1_1sojL.pdb.gz
10	6ezuA	0.49	4.98	0.081	0.861	model1_6ezuA.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:0016787	0.64	hydrolase activity
GO:0016788	0.63	hydrolase activity, acting on ester bonds
GO:0042578	0.59	phosphoric ester hydrolase activity
GO:0043169	0.58	cation binding
GO:0004112	0.58	cyclic-nucleotide phosphodiesterase activity
GO:1901363	0.50	heterocyclic compound binding
GO:0097159	0.50	organic cyclic compound 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:0065007	0.76	biological regulation
GO:0050794	0.74	regulation of cellular process
GO:0044699	0.73	single-organism process
GO:0009987	0.73	cellular process
GO:0008152	0.68	metabolic process
GO:0044763	0.67	single-organism cellular process
GO:0044237	0.65	cellular metabolic process
GO:0044710	0.64	single-organism metabolic process
GO:0071704	0.63	organic substance metabolic process
GO:0044238	0.63	primary metabolic process
GO:1901135	0.61	carbohydrate derivative metabolic process
GO:0044281	0.61	small molecule metabolic process
GO:0019637	0.61	organophosphate metabolic process
GO:0006796	0.61	phosphate-containing compound metabolic process
GO:1901575	0.60	organic substance catabolic process
GO:0044712	0.60	single-organism catabolic process
GO:0051716	0.58	cellular response to stimulus
GO:0046058	0.58	cAMP metabolic process
GO:0044700	0.58	single organism signaling
GO:0009214	0.58	cyclic nucleotide catabolic process
GO:0009154	0.58	purine ribonucleotide catabolic process
GO:0007154	0.58	cell communication

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:0044424	1.00	intracellular part
GO:0012505	1.00	endomembrane system
GO:0044444	0.77	cytoplasmic part
GO:0005829	0.66	cytosol
GO:0016020	0.58	membrane
GO:0005737	0.53	cytoplasm

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	1zklA	0.484	4.62	0.085	0.808	3.1.4.17	22
2	0.060	3dbmA	0.444	5.19	0.096	0.801	4.2.1.92	29
3	0.060	2pdaA	0.457	4.99	0.058	0.788	1.2.7.1	NA
4	0.060	1lgfA	0.439	5.07	0.071	0.788	1.14.-.-	NA
5	0.060	2qymA	0.501	4.69	0.086	0.834	3.1.4.17	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	0.08	3sl5D	0.517	4.52	0.098	0.834	0.19	J25	complex1.pdb.gz	29,30,54,55,58
2	0.01	3g4gC	0.512	4.71	0.103	0.848	0.20	D71	complex2.pdb.gz	27,30,31,53
3	0.01	1y2bB	0.504	4.61	0.092	0.808	0.30	DEE	complex3.pdb.gz	23,24,26,54
4	0.01	1y2dB	0.514	4.67	0.084	0.834	0.36	4DE	complex4.pdb.gz	82,83,86,108,111
5	0.01	3g58A	0.506	4.79	0.103	0.841	0.19	988	complex5.pdb.gz	27,28,31
6	0.01	3i8vA	0.513	4.69	0.088	0.848	0.29	0MO	complex6.pdb.gz	26,29,30,33
7	0.01	1xonA	0.506	4.51	0.076	0.801	0.17	PIL	complex7.pdb.gz	27,29,117,118,121
8	0.01	2fm0D	0.509	4.58	0.081	0.815	0.31	M98	complex8.pdb.gz	80,82,83,86,90,100,107,111
9	0.01	1tbbA	0.504	4.65	0.098	0.828	0.18	ROL	complex9.pdb.gz	21,22,29,51
10	0.01	1xm6A	0.498	4.77	0.079	0.841	0.29	5RM	complex10.pdb.gz	4,24,25,26

	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.