D-I-TASSER Q9Y613-D2

D-I-TASSER results for Q9Y613-D2

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

Input Sequence in FASTA format

>Q9Y613 (99 residues)
TVLDPKRSNAINIGLTTLPPVHVIKAALLNFDEFAVSKDGIEKLLTMMPTEEERQKIEEA
QLANPDIPLGPAENFLMTLASIGGLAARLQLWAFKLDYD

Predicted Secondary Structure

Sequence	20 40 60 80 \| \| \| \| TVLDPKRSNAINIGLTTLPPVHVIKAALLNFDEFAVSKDGIEKLLTMMPTEEERQKIEEAQLANPDIPLGPAENFLMTLASIGGLAARLQLWAFKLDYD
Prediction	CCCCHHHHHHHHHHHHHCCCHHHHHHHHHHCCCCCCCHHHHHHHHHHCCCHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHCCCCHHHHHHHHHHHHHCC
Confidence	987727889999999418997999999997783439999999999619999999999998741898768879999999964997899999998998549
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 \| \| \| \| TVLDPKRSNAINIGLTTLPPVHVIKAALLNFDEFAVSKDGIEKLLTMMPTEEERQKIEEAQLANPDIPLGPAENFLMTLASIGGLAARLQLWAFKLDYD
Prediction	744444303010010442433730250035135740447104402633237611530461477567451250130033026164044104002233738
	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

                   |                   |                   |                   |

SS
Seq

CCCCHHHHHHHHHHHHHCCCHHHHHHHHHHCCCCCCCHHHHHHHHHHCCCHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHCCCCHHHHHHHHHHHHHCC
TVLDPKRSNAINIGLTTLPPVHVIKAALLNFDEFAVSKDGIEKLLTMMPTEEERQKIEEAQLANPDIPLGPAENFLMTLASIGGLAARLQLWAFKLDYD

4eahA

0.22

7.00

1.50

DEthreader

TLLEANRAKNLAITLRKARSAEEICRAIHTFDLQTLPVDFVECLMRFLPTEAEVKLLRQYERERQPLELAAEDRFMLLFSKVERLTQRMAGMAFLGNFQ

1v9dB1

0.28

0.27

8.32

2.14

SPARKS-K

KVLDSKTAQNLSIFLGSFMPYQEIKNVILEVNEAVLTESMIQNLIKQMPEPEQLKMLSELKEEYDD--LAESEQFGVVMGTVPRLRPRLNAILFKLQ--

4eahA

0.22

6.99

1.53

MapAlign

TLLEANRAKNLAITLRKARSAEEICRAIHTFDLQTLPVDFVECLMRFLPTEAEVKLLRQYERERQPLELAAEDRFMLLFSKVERLTQRMAGMAFLGNF-

4eahA

0.23

7.27

1.48

CEthreader

TLLEANRAKNLAITLRKARSAEEICRAIHTFDLQTLPVDFVECLMRFLPTEAEVKLLRQYERERPLEELAAEDRFMLLFSKVERLTQRMAGMAFLGNFQ

1v9dB1

0.27

0.26

8.05

1.96

MUSTER

KVLDSKTAQNLSIFLGSFRPYQEIKNVILEVNEAVLTESMIQNLIKQMPEPEQLKMLSELK--EEYDDLAESEQFGVVMGTVPRLRPRLNAILFKLQ--

1v9dB

0.27

0.26

8.07

3.32

HHsearch

KVLDSKTAQNLSIFLGSFRPYQEIKNVILEVNEAVLTESMIQNLIKQMPEPEQLKMLSELK--EEYDDLAESEQFGVVMGTVPRLRPRLNAILFKLQFS

1v9dB1

0.27

0.26

8.05

1.71

FFAS-3D

KVLDSKTAQNLSIFLGSFRPYQEIKNVILEVNEAVLTESMIQNLIKQMPEPEQLKMLSEL--KEEYDDLAESEQFGVVMGTVPRLRPRLNAILFKLQ--

1v9dB1

0.27

0.26

8.05

1.45

EigenThreader

KVLDSKTAQNLSIFLGSFMPYQEIKNVILEVNEAVLTESMIQNLIKQMPEPEQLKMLSELKE--EYDDLAESEQFGVVMGTVPRLRPRLNAILFKLQ--

1v9dA

0.27

0.26

8.07

1.23

CNFpred

KVLDSKTAQNLSIFLGSFRPYQEIKNVILEVNEAVLTESMIQNLIKQMPEPEQLKMLSELKE--EYDDLAESEQFGVVMGTVPRLRPRLNAILFKLQFS

2z6eB

0.31

0.30

9.16

1.50

DEthreader

KVIDGRRAQNCNILLSRLLSNDEIKRAILTMDEEDLPKDMLEQLLKFVPEKSDIDLLEEHKH--ELDRMAKADRFLFEMSRINHYQQRLQSLYFKKKFA

(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	0.8587

(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	4eahA	0.92	1.23	0.222	1.000	model1_4eahA.pdb.gz
2	2z6eB	0.90	1.32	0.309	0.980	model1_2z6eB.pdb.gz
3	1v9dB	0.87	1.40	0.271	0.970	model1_1v9dB.pdb.gz
4	1ux4A	0.73	2.65	0.163	0.990	model1_1ux4A.pdb.gz
5	4oliA3	0.44	4.09	0.053	0.687	model1_4oliA3.pdb.gz
6	2bduA	0.43	3.97	0.044	0.687	model1_2bduA.pdb.gz
7	3eg9A2	0.38	4.42	0.022	0.697	model1_3eg9A2.pdb.gz
8	1j30A2	0.37	3.87	0.134	0.586	model1_1j30A2.pdb.gz
9	4xdnA3	0.37	4.68	0.116	0.677	model1_4xdnA3.pdb.gz
10	4q3lA2	0.35	3.72	0.067	0.566	model1_4q3lA2.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:0008092	0.76	cytoskeletal protein binding
GO:0003779	0.75	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:0065007	0.90	biological regulation
GO:0009987	0.90	cellular process
GO:0050789	0.89	regulation of biological process
GO:0044699	0.89	single-organism process
GO:0050794	0.88	regulation of cellular process
GO:0044763	0.87	single-organism cellular process
GO:0051128	0.82	regulation of cellular component organization
GO:0044087	0.81	regulation of cellular component biogenesis
GO:0032956	0.81	regulation of actin cytoskeleton organization
GO:0048518	0.80	positive regulation of biological process
GO:0048522	0.78	positive regulation of cellular process
GO:0051130	0.76	positive regulation of cellular component organization
GO:0044089	0.76	positive regulation of cellular component biogenesis
GO:0051495	0.75	positive regulation of cytoskeleton organization
GO:0065008	0.74	regulation of biological quality
GO:0044767	0.73	single-organism developmental process
GO:0048869	0.65	cellular developmental process
GO:0051496	0.62	positive regulation of stress fiber assembly
GO:0040011	0.62	locomotion
GO:0048870	0.59	cell motility
GO:0009653	0.59	anatomical structure morphogenesis
GO:0016477	0.57	cell migration
GO:0032879	0.55	regulation of localization
GO:0032501	0.55	multicellular organismal process
GO:0022603	0.55	regulation of anatomical structure morphogenesis
GO:0010811	0.55	positive regulation of cell-substrate adhesion
GO:1900026	0.54	positive regulation of substrate adhesion-dependent cell spreading
GO:0060439	0.54	trachea morphogenesis
GO:0046716	0.54	muscle cell cellular homeostasis
GO:0044319	0.54	wound healing, spreading of cells
GO:0035070	0.54	salivary gland histolysis
GO:0030335	0.54	positive regulation of cell migration
GO:0019233	0.54	sensory perception of pain
GO:0010623	0.54	programmed cell death involved in cell development
GO:0007476	0.54	imaginal disc-derived wing morphogenesis
GO:0003012	0.54	muscle 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	0.98	cell part
GO:0044424	0.93	intracellular part
GO:0044444	0.80	cytoplasmic part
GO:0043229	0.73	intracellular organelle
GO:0005737	0.67	cytoplasm
GO:0043227	0.64	membrane-bounded organelle
GO:0043231	0.63	intracellular membrane-bounded organelle
GO:0005634	0.60	nucleus

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	1itkB	0.526	3.92	0.043	0.909	1.11.1.6 1.11.1.7	NA
2	0.060	2b0fA	0.489	4.16	0.057	0.838	3.4.22.28	NA
3	0.060	1qtrA	0.475	4.27	0.041	0.869	3.4.11.5	NA
4	0.060	2gksB	0.478	4.10	0.081	0.869	2.7.7.4 2.7.1.25	NA
5	0.060	1m8pA	0.484	3.76	0.085	0.828	2.7.7.4	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:

Click to view	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	2ipsA	0.542	4.01	0.053	0.838	0.14	HEM	complex1.pdb.gz	14,37,40,41,44,91

	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.