D-I-TASSER Q6ZVH7-D3

D-I-TASSER results for Q6ZVH7-D3

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

Input Sequence in FASTA format

>Q6ZVH7 (161 residues)
PSGDIDGLVPTRDERGQPIPEWKRQVMVRKLQARLGAESSAEAQDNGGSSGPTEQAAWRY
SQTHQAILGPFGELLTEDDLVYLEKQIADLQLRRRCQEYESELGRLAAELQALLPEPLVS
ITVNSHFLPRAPGLEVEEASIPAAEPAGSAEASEVAPGVQP

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 \| \| \| \| \| \| \| \| PSGDIDGLVPTRDERGQPIPEWKRQVMVRKLQARLGAESSAEAQDNGGSSGPTEQAAWRYSQTHQAILGPFGELLTEDDLVYLEKQIADLQLRRRCQEYESELGRLAAELQALLPEPLVSITVNSHFLPRAPGLEVEEASIPAAEPAGSAEASEVAPGVQP
Prediction	CCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCHHHHHHHHHCCHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCSSSSSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHCCCCCCC
Confidence	97542223456456899774899999999999997322567777513445777776763224321332433543235689999999999999999999999999999999985787615787532115789997656665556686777431115778999
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 \| \| \| \| \| \| \| \| PSGDIDGLVPTRDERGQPIPEWKRQVMVRKLQARLGAESSAEAQDNGGSSGPTEQAAWRYSQTHQAILGPFGELLTEDDLVYLEKQIADLQLRRRCQEYESELGRLAAELQALLPEPLVSITVNSHFLPRAPGLEVEEASIPAAEPAGSAEASEVAPGVQP
Prediction	86552642133447645424514441114404341465645644654544442557414234324011222241135620330353055242344056244414401540441044311303134411462452747734343443744752554466668
	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

                   |                   |                   |                   |                   |                   |                   |                   |

SS
Seq

CCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCHHHHHHHHHCCHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCSSSSSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHCCCCCCC
PSGDIDGLVPTRDERGQPIPEWKRQVMVRKLQARLGAESSAEAQDNGGSSGPTEQAAWRYSQTHQAILGPFGELLTEDDLVYLEKQIADLQLRRRCQEYESELGRLAAELQALLPEPLVSITVNSHFLPRAPGLEVEEASIPAAEPAGSAEASEVAPGVQP

1t1mC

0.07

2.82

0.51

CEthreader

---VNPFIKEAKEKMKRTLEKIEDELRMRTGKPSPAILEEIKVDYYGVPTPVNQLATISISEERTLVIKPWVIRLVFPSPTTEQREKWVKKAKEIVEEGKIAIRNIRREILKKIKEDQKEGLIPEDDAKRLENEIQKLTDEFIEKLDEVFEIKKEEIMEF-

3o0zA

0.06

2.38

0.48

EigenThreader

LQKQLEEANDLLR----TESDTAVRLRKSHTESKSISQLESLNRELQERNRILENSKSQTD----KDYYQLQAILEAERRDRGHDSEDLQARITSLQEEVKHLKHNLEKVEGERKEAQD-------------LNHSEKEKNNLEIDLNYKLKSLQQRLEQE

5voxO

0.18

0.16

5.28

0.49

FFAS-3D

-IGSLDTLIVESEELSK--VDNQIGASIGKIIEILQGLNETSTNAYRTLPINNMPVP-EYLENFQWQTRKFKLDKSIKDLILISNESSQLDVRATYANYNSAKTNLAAAERKLSVRSLHDIVKPEDFVLNSEHLT----TVLVAVPKSLKSDFEKS-----

6bljA1

0.07

0.05

2.05

0.67

SPARKS-K

---DVTLVDKVIELDEVWRATIGKLNHIKSFTGIISKEVGNRMKNKVPLGDDLELPKEVTDDVYALFTKEALQGSLAKLNTNQLKKLSTYITEVHIKNSEEEVKQKEKERDDVLLQI--------------------------------------------

6y07A

0.15

0.09

2.92

0.41

CNFpred

----------------------DLADIITTLIQIIEESNEAIKELIKNQKGPTSDYIIEQIQRDQEE--------ARKKVEEAEERLERVKEASKRGVSSDQLLDLIRELAEIIEELIRIIR---------------------------------------

5voxb2

0.07

0.06

2.26

0.83

DEthreader

------------------YSYFFSLIGLLFMQGIFLMLINMF-LS-GTIQAKQVFLMAVCIPWLLL-------QHTIEFCLNCVSHTASYLRLWALSLAHAQLSSVLWTMTIQIAMLFMWLTVLLMEGTSAMLHRLEPFAFEYKD-MEV------------

1t1mC

0.08

0.07

2.91

0.63

MapAlign

-----------VNPFIKEAKEKMKRTLEKIEDELRAILEEIKVDYYGVPTPVNQLATISISEERTLVIKPWIRLVFPTEQREKWVKKAKEIVEEGKIAIRNIRREILKKIKEDQKEGLIPEDDAKRLENEIQKLTDEFIEKLDEVFEIKKEEIMEF-----

6nqmA

0.13

0.12

4.34

0.52

MUSTER

ELAKIKQKCPLYEANGQAVPKEKDEMVEQEFNRLLEATSYLSHQLDFNVL---NNKPVSLGQALEVVIQLQEKHVKDEQIEHWKKIVKTQEELKELLNKMVNLKEKIKELHQQTAEFLVKSKHRDALCKEYDELAETQGKLEEKLQELEANPPSDVYLSSR

1vt4I3

0.19

0.15

4.80

0.76

HHsearch

KTFDSDDLIPPYLDQGHHLKNPERMTLFRMV---FLDFRFLEQKIRH---------DST---AWNASGSIL------NTLQQLKFYKP-----YICDNDP-KYERLV---NAILDF-LPKIEENLICSKYTD------LLRIALMAEDEAIFEEAHKQVQR

3ihyC

0.07

2.84

0.44

CEthreader

LVHLMKAVQRESGNRKKKNERLQALLGDNEKMNLSDVELIPLPLEPQVKIRGIIPETATLFKSALMPAQLFVIFKHGDDLRQDQLILQIISLMDKLLRKENLDLKLTPYKVLATSTKHGFMQFIQSVPVAEVLDTEGSIQNFFRKYAPSENGPNGISAEVM

(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	0.4694

(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	4av3A	0.53	4.66	0.109	0.851	model1_4av3A.pdb.gz
2	6ljaA	0.53	4.89	0.075	0.857	model1_6ljaA.pdb.gz
3	6n3qA	0.50	4.56	0.081	0.776	model1_6n3qA.pdb.gz
4	7kakA	0.50	4.43	0.093	0.770	model1_7kakA.pdb.gz
5	7kalE	0.50	3.36	0.105	0.652	model1_7kalE.pdb.gz
6	1fa2A	0.50	4.63	0.069	0.801	model1_1fa2A.pdb.gz
7	6lq8A	0.49	4.97	0.033	0.789	model1_6lq8A.pdb.gz
8	4iggA	0.49	4.71	0.085	0.826	model1_4iggA.pdb.gz
9	2o78A	0.49	4.58	0.065	0.752	model1_2o78A.pdb.gz
10	1b1yA	0.41	5.97	0.048	0.814	model1_1b1yA.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:0003779	1.00	actin 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:0051017	1.00	actin filament bundle assembly
GO:0044699	0.75	single-organism process
GO:0044763	0.69	single-organism cellular process
GO:0032502	0.66	developmental process
GO:0044767	0.65	single-organism developmental process
GO:0048869	0.64	cellular developmental process
GO:0044707	0.64	single-multicellular organism process
GO:0030154	0.63	cell differentiation
GO:0030030	0.63	cell projection organization
GO:0009653	0.63	anatomical structure morphogenesis
GO:0048800	0.62	antennal morphogenesis
GO:0035317	0.62	imaginal disc-derived wing hair organization
GO:0035017	0.62	cuticle pattern formation
GO:0009913	0.62	epidermal cell differentiation
GO:0008407	0.62	chaeta morphogenesis
GO:0007605	0.62	sensory perception of sound

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:0031941	1.00	filamentous actin
GO:0016020	0.79	membrane
GO:0043226	0.71	organelle
GO:0043229	0.70	intracellular organelle
GO:0044425	0.64	membrane part
GO:0005886	0.58	plasma membrane
GO:0043232	0.56	intracellular non-membrane-bounded organelle
GO:0043227	0.56	membrane-bounded organelle
GO:0005737	0.56	cytoplasm
GO:0005856	0.55	cytoskeleton
GO:0042995	0.51	cell projection
GO:0015629	0.50	actin cytoskeleton

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	2ewgA	0.464	4.95	0.050	0.752	2.5.1.10	NA
2	0.060	3d9dA	0.479	4.84	0.074	0.764	1.7.3.1	NA
3	0.060	3btaA	0.455	5.28	0.051	0.789	3.4.24.69	NA
4	0.060	2o6yA	0.485	4.67	0.079	0.758	4.3.1.-	NA
5	0.060	2f8zF	0.456	4.91	0.035	0.733	2.5.1.10 2.5.1.1	68,69,70,72,76,78

	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	1j0zC	0.472	5.05	0.082	0.826	0.14	GLC	complex1.pdb.gz	8,22,70,72
2	0.01	2o7eD	0.486	4.80	0.070	0.770	0.11	PMI	complex2.pdb.gz	21,69,71
3	0.01	3mkhB	0.476	4.63	0.076	0.739	0.24	FAD	complex3.pdb.gz	28,70,72,73
4	0.01	1bucA	0.472	4.49	0.045	0.727	0.14	FAD	complex4.pdb.gz	73,75,77
5	0.01	1j0zB	0.471	5.04	0.075	0.826	0.11	UUU	complex5.pdb.gz	23,69,72
6	0.01	2pg0A	0.474	4.69	0.065	0.727	0.28	FAD	complex6.pdb.gz	23,69,70,72
7	0.01	1j10A	0.472	5.07	0.082	0.826	0.19	UUU	complex7.pdb.gz	56,57,58,59,60,71
8	0.01	1bucA	0.472	4.49	0.045	0.727	0.12	CAA	complex8.pdb.gz	6,69,71,72
9	0.01	1itcA	0.471	5.03	0.083	0.814	0.33	GLC	complex9.pdb.gz	6,8,9,70,72
10	0.01	3lmd0	0.474	4.61	0.064	0.752	0.18	III	complex10.pdb.gz	37,40,41

	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.