D-I-TASSER Q9Y6E2-D2

D-I-TASSER results for Q9Y6E2-D2

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

Input Sequence in FASTA format

>Q9Y6E2 (110 residues)
SETEQTKLAMLSGILLGNGTLPATILTSLFTDSLVKEGIAASFAVKLFKAWMAEKDANSV
TSSLRKANLDKRLLELFPVNRQSVDHFAKYFTDAGLKELSDFLRVQQSLG

Predicted Secondary Structure

Sequence	20 40 60 80 100 \| \| \| \| \| SETEQTKLAMLSGILLGNGTLPATILTSLFTDSLVKEGIAASFAVKLFKAWMAEKDANSVTSSLRKANLDKRLLELFPVNRQSVDHFAKYFTDAGLKELSDFLRVQQSLG
Prediction	CHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHCCHHHHHHHHHHHCHHHHHHHHCCCCCCCHHHHHHHHHHCCCHHHHHHHHHHHHCC
Confidence	86999999999999998399895999999999876226589999999999999768789999999826256789868954589999999999838399999999988409
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 \| \| \| \| \| SETEQTKLAMLSGILLGNGTLPATILTSLFTDSLVKEGIAASFAVKLFKAWMAEKDANSVTSSLRKANLDKRLLELFPVNRQSVDHFAKYFTDAGLKELSDFLRVQQSLG
Prediction	87752420020002111343244500341344312454100300130043016555164024104436045402431333443472046205756054025114536758
	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

                   |                   |                   |                   |                   |

SS
Seq

CHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHCCHHHHHHHHHHHCHHHHHHHHCCCCCCCHHHHHHHHHHCCCHHHHHHHHHHHHCC
SETEQTKLAMLSGILLGNGTLPATILTSLFTDSLVKEGIAASFAVKLFKAWMAEKDANSVTSSLRKANLDKRLLELFPVNRQSVDHFAKYFTDAGLKELSDFLRVQQSLG

3l6aA

0.11

0.10

3.60

1.00

DEthreader

EPLVKSYLAQFAARAIISELVSSELAQPLES--GT---HF-PLFLLCLQQLAKLQDREWLTELFQQSK-VN-MQKMLPEIDQNKDRMLEILEGK-G--LSFLFPLLKLDG

3l6aA

0.14

0.13

4.37

1.50

HHsearch

IPLVKSYLAQFAARAIISELVSISELAQPL-----ESGTHFPLFLLCLQQLAKLQDREWLTELFQQSKVN--MQKMLPEIDQNKDRMLEILEGKGLSFLFPLLKLEKELD

4knhA1

0.09

0.08

3.15

1.00

DEthreader

RMDEDFNLVDTILKLSVGVILRACIFYVLKAL-MIRKTELDAMWRWVEAWMTNPPCMEMMFREFGTQSFIQLLTTLLVPLS---SVP-FPEW--LGSIRTLGIEPDRRKV

3l6aA

0.13

0.12

4.13

0.83

SPARKS-K

IPLVKSYLAQFAARAIISELVSISELAQPLESGT-----HFPLFLLCLQQLAKLQDREWLTELFQQSKVN--MQKMLPEIDQNKDRMLEILEGKGLSFLFPLLKLEKELL

3l6aA

0.12

0.11

3.84

0.82

MapAlign

---VKSYLAQFAARAIISELVSISELAQPL----ESGTHF-PLFLLCLQQLAKLQDREWLTELFQQSKV--NMQKMLPEIDQNKDRMLEILEGKGLSFLFPLLKLEKE--

3l6aA

0.13

0.12

4.13

0.82

CEthreader

IPLVKSYLAQFAARAIISELVSISELAQPLESGT-----HFPLFLLCLQQLAKLQDREWLTELFQQSKV--NMQKMLPEIDQNKDRMLEILEGKGLSFLFPLLKLEKELL

1ug3A

0.18

0.17

5.61

0.79

MUSTER

IPHVWLYLAELVTPILQEGGVPMGELFREITKPLRPLGKAASLLLEILGLLCKSMGPKKVGTLWREAGLS--WKEFLPEGQD----IGAFVAEQKVEYTLALPSEELNRQ

1ug3A

0.19

0.18

5.85

1.50

HHsearch

IPHVWLYLAELVTPILQEGGVPMGELFREITKPLRPLGKAASLLLEILGLLCKSMGPKKVGTLWREAGLS--WKEFLPEGQD----IGAFVAEQKVEYTLPSEELNRQEG

5mqfT2

0.20

0.19

6.12

0.86

FFAS-3D

ETNKLRNVAKMFAHLLYTDSLPWSVLECIKLSEETTTSSSRIFVKIFFQELCEYMGLPKLNARLKDETLQPFFEGLLPRNPRNTRFAINFFTSIGLGGLTDELREH----

2diwA

0.05

2.22

0.67

EigenThreader

SKAKMTQITKAAIKAIKFYKHVVQSVEKFIQKCKEYKVPGLYVIDSIVRQSRFGQEKDVFAPRFSNN-IISTFQNLYRCPGDDKSKIVRVWQKNNVFEIIQPLLDMAAGS

(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	0.7874

(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	3l6aA	0.72	2.32	0.110	0.909	model1_3l6aA.pdb.gz
2	6bk8L2	0.67	2.58	0.155	0.864	model1_6bk8L2.pdb.gz
3	5gmkZ	0.65	2.75	0.155	0.873	model1_5gmkZ.pdb.gz
4	1ug3A	0.64	2.35	0.194	0.836	model1_1ug3A.pdb.gz
5	5xjcV	0.64	2.97	0.131	0.864	model1_5xjcV.pdb.gz
6	5lj3H	0.64	2.57	0.134	0.827	model1_5lj3H.pdb.gz
7	4c0dA2	0.64	3.45	0.099	0.918	model1_4c0dA2.pdb.gz
8	5mqfT	0.63	3.32	0.112	0.909	model1_5mqfT.pdb.gz
9	6c0fz	0.62	3.72	0.093	0.964	model1_6c0fz.pdb.gz
10	5cwbA	0.61	3.61	0.096	0.936	model1_5cwbA.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:1901363	0.75	heterocyclic compound binding
GO:0097159	0.75	organic cyclic compound binding
GO:0003676	0.68	nucleic acid binding
GO:0003723	0.65	RNA binding
GO:0098641	0.63	cadherin binding involved in cell-cell adhesion
GO:0044822	0.55	poly(A) RNA 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:0009987	1.00	cellular process
GO:0065007	0.89	biological regulation
GO:0050794	0.88	regulation of cellular process
GO:0044699	0.88	single-organism process
GO:0048522	0.86	positive regulation of cellular process
GO:0010608	0.86	posttranscriptional regulation of gene expression
GO:0044708	0.85	single-organism behavior
GO:0044707	0.85	single-multicellular organism process
GO:2000112	0.82	regulation of cellular macromolecule biosynthetic process
GO:0080090	0.82	regulation of primary metabolic process
GO:0051171	0.82	regulation of nitrogen compound metabolic process
GO:0006417	0.81	regulation of translation
GO:0008152	0.78	metabolic process
GO:0044763	0.77	single-organism cellular process
GO:0071704	0.76	organic substance metabolic process
GO:0044238	0.75	primary metabolic process
GO:0044237	0.75	cellular metabolic process
GO:0050877	0.74	neurological system process
GO:0048869	0.74	cellular developmental process
GO:0044767	0.74	single-organism developmental process
GO:0043170	0.74	macromolecule metabolic process
GO:0017148	0.74	negative regulation of translation
GO:0051491	0.73	positive regulation of filopodium assembly
GO:0048477	0.73	oogenesis
GO:0048149	0.73	behavioral response to ethanol
GO:0044260	0.73	cellular macromolecule metabolic process
GO:0030707	0.73	ovarian follicle cell development
GO:0016199	0.73	axon midline choice point recognition
GO:0007616	0.73	long-term memory
GO:0006807	0.73	nitrogen compound metabolic process
GO:0034641	0.72	cellular nitrogen compound metabolic process
GO:1901360	0.71	organic cyclic compound metabolic process
GO:0046483	0.71	heterocycle metabolic process
GO:0090304	0.70	nucleic acid metabolic process
GO:0016070	0.69	RNA metabolic process
GO:0016071	0.63	mRNA 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	0.97	cell part
GO:0016020	0.95	membrane
GO:0044424	0.91	intracellular part
GO:0005737	0.56	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	2i2xA	0.542	4.25	0.039	0.936	2.1.1.90	62
2	0.060	2infC	0.525	3.85	0.072	0.855	4.1.1.37	NA
3	0.060	2fiqC	0.532	4.05	0.115	0.827	2.7.1.144	41,70,95
4	0.060	2c4mC	0.529	3.80	0.063	0.846	2.4.1.1	NA
5	0.060	1udyA	0.549	3.93	0.119	0.900	1.3.99.3	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	0.04	1o6pA	0.563	3.73	0.100	0.900	0.66	III	complex1.pdb.gz	13,16,17,56,59,60
2	0.02	1h2u0	0.602	3.37	0.099	0.918	0.55	III	complex2.pdb.gz	13,18,19
3	0.02	3obvB	0.538	3.79	0.097	0.846	0.65	SUC	complex3.pdb.gz	8,9,12,13,16
4	0.02	3d9mA	0.579	3.62	0.040	0.900	0.61	III	complex4.pdb.gz	14,19,54
5	0.01	1o6oB	0.558	3.80	0.071	0.882	0.54	III	complex5.pdb.gz	10,13,14,18,60
6	0.01	1f59B	0.545	4.10	0.077	0.927	0.60	III	complex6.pdb.gz	12,15,40,41,42,43,46,47

	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.