D-I-TASSER O15090-D6

D-I-TASSER results for O15090-D6

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

Input Sequence in FASTA format

>O15090 (125 residues)
FSEIGRAYQSIVSNGVNFQGSLQAFMDSFVLSSLKKEKDMKDKALADPPSMSQRKSEKSQ
YEPLDLSVRPDAASLPGSSVTVQDSIAWHGCLFCAFTTSSMELMALHLQADLSDIASSED
MDSSK

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 \| \| \| \| \| \| FSEIGRAYQSIVSNGVNFQGSLQAFMDSFVLSSLKKEKDMKDKALADPPSMSQRKSEKSQYEPLDLSVRPDAASLPGSSVTVQDSIAWHGCLFCAFTTSSMELMALHLQADLSDIASSEDMDSSK
Prediction	CHHHHHHHHHHHCCCCCCSCHHHHHHHHHHHHHCCCCCCHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSSSSSCCCCCCCHHHHHHHHHHHHCCCCCCCCCCCCC
Confidence	70677899997617732100289888887775334442202216688876554567777765443546888888898754346775122134234556628999999887534666434477789
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 \| \| \| \| \| \| FSEIGRAYQSIVSNGVNFQGSLQAFMDSFVLSSLKKEKDMKDKALADPPSMSQRKSEKSQYEPLDLSVRPDAASLPGSSVTVQDSIAWHGCLFCAFTTSSMELMALHLQADLSDIASSEDMDSSK
Prediction	76524531441244324143304321332114315547625653466555454565663424214133446646343463445644323302212233433412222132424753556647668
	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

                   |                   |                   |                   |                   |                   |

SS
Seq

CHHHHHHHHHHHCCCCCCSCHHHHHHHHHHHHHCCCCCCHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSSSSSCCCCCCCHHHHHHHHHHHHCCCCCCCCCCCCC
FSEIGRAYQSIVSNGVNFQGSLQAFMDSFVLSSLKKEKDMKDKALADPPSMSQRKSEKSQYEPLDLSVRPDAASLPGSSVTVQDSIAWHGCLFCAFTTSSMELMALHLQADLSDIASSEDMDSSK

2fmlA2

0.03

1.86

0.51

CEthreader

NESTEDSVLRETKEETGVVISQENIEQLHSFSRPDRDPRGWVVTVSYLAFIGE-EPLIAGDDAKEVHWFNLERHGQHITLSHEDVEITLDLKTAASLGKDTLAFDHSEIIIKAFNRVVDKEHEPQ

2y3aB

0.03

0.02

1.59

0.57

EigenThreader

FNETIKIFEEQGQTQEKCSKLKSRIAEIHESRTKLEQDLRAQASDNREIDKRMNSLKPHHEERTWYVGKINRTQAEEMLSG--KRDGTFLIRESSSVVVDGDTKH-----CVIYTGFGFAEPYNL

1zu1A

0.11

0.07

2.62

0.34

FFAS-3D

LISESQKLAHYQSR-----------KHANKVRRYMAINQGEDSVPAKKFKAAPAEISDGEDRSK-------------------------CCPVCNMTFSSPVVAESHYIKTHIKNLRLREQ----

4kt3B

0.14

0.12

4.13

0.96

SPARKS-K

---------SLQPARIKDSGLTREQAEQVLRVALKHQDYQLQRFIDGDLQDENGKPPHPGYYDFSLGYNDKAGATEYWGLSLNTGDTWEI-NSCK-RLDGAELRALQRRV---ARTGKSLADEKS

1mw5A

0.24

0.14

4.49

0.59

CNFpred

WLNLDDALQAVV------GNSRSAFLHQLIAKL-------------KSRHLQVLELNKIGSEPLDLSNLPA---------------PFYVLLP----ESFAARITLLVQDKAL------------

6thhC

0.06

0.05

2.15

0.83

DEthreader

KPFEFSKNEEDY-----LKRNYSSNPVVCPIIYENLRVKPYFILITNYTFSPGVLLTLKIFAALDII---------F--DGDFFSVAISLENKYAL-D-DQHRAQVYSALQDIFKTLYSIEEESD

2c4mC1

0.04

2.08

0.84

MapAlign

LPAALVGSHVRAAAGTPADLATDRKFWTGLSRVTGYGLLYRFGLFRQSFNEGFQVEKPDPWREEEYPFTIRRASDQLVVCFDDMKTRAIPYTLRLWKAEQQYFFTSASLQAMIQDHLAHHKDLSN

2w0cT

0.09

3.34

0.67

MUSTER

ANFLTKNFVWILAAGVGV--WFYQKADNAAKTATKPIADFAELQFLVNGSNYVKFPNAGFVDALQDDFIAYDDRIKAWLGTHDRHKDFLAEIL---HERRVKPVYRKLIGNIIDASTIRAASGVE

1wirA

0.21

0.09

2.79

0.62

HHsearch

------------------------------------------------------------------------GSS-GSSGEPAHGRQHTPCLFCDRLFASAEETFSHCKLEHQFSMVHKHGPTVE

2fmlA

0.10

3.59

0.51

CEthreader

KGHPFRNSWALPGGFVNRNESTEDSVLRETKEETGVVISQENIEQLHSFSRPDRDPRGWVVTVSYLAHWFNLERHGQHITLSHEDVEITLDLKTAASLGKDTLAFDHSEIIIKAFNRVVDKEHEP

(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	0.4912

(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	6x88A	0.53	3.61	0.048	0.768	model1_6x88A.pdb.gz
2	6ptqA	0.52	4.48	0.103	0.824	model1_6ptqA.pdb.gz
3	7d3uD	0.51	4.54	0.121	0.880	model1_7d3uD.pdb.gz
4	6oapA	0.51	3.45	0.040	0.712	model1_6oapA.pdb.gz
5	5b1qA	0.51	3.56	0.010	0.752	model1_5b1qA.pdb.gz
6	4s21A	0.51	4.66	0.077	0.856	model1_4s21A.pdb.gz
7	5akpA	0.51	4.38	0.068	0.824	model1_5akpA.pdb.gz
8	1jb0B	0.51	4.41	0.091	0.824	model1_1jb0B.pdb.gz
9	3w2zA	0.48	4.61	0.070	0.792	model1_3w2zA.pdb.gz
10	2oolA2	0.47	3.76	0.058	0.696	model1_2oolA2.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:0003700	1.00	transcription factor activity, sequence-specific DNA binding
GO:0044212	0.99	transcription regulatory region DNA binding
GO:0043565	0.99	sequence-specific DNA binding
GO:0000982	0.99	transcription factor activity, RNA polymerase II core promoter proximal region sequence-specific binding
GO:0001078	0.98	transcriptional repressor activity, RNA polymerase II core promoter proximal region sequence-specific 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:0050794	0.99	regulation of cellular process
GO:0044260	0.94	cellular macromolecule metabolic process
GO:0044238	0.94	primary metabolic process
GO:0044699	0.93	single-organism process
GO:0006351	0.93	transcription, DNA-templated
GO:0044767	0.91	single-organism developmental process
GO:0048856	0.90	anatomical structure development
GO:0007275	0.89	multicellular organism development
GO:0007165	0.89	signal transduction
GO:0006366	0.87	transcription from RNA polymerase II promoter

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:0005634	1.00	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	2wbiB	0.470	4.36	0.097	0.792	1.3.99.-	111
2	0.060	4mdhA	0.468	3.84	0.075	0.720	1.1.1.37	NA
3	0.060	2c2xA	0.464	4.24	0.059	0.744	1.5.1.5 3.5.4.9	NA
4	0.060	2ix6A	0.479	3.82	0.089	0.752	1.3.3.6	NA
5	0.060	2jifA	0.470	4.16	0.050	0.776	1.3.99.-	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	0.01	2noxI	0.487	3.63	0.060	0.712	0.13	HEM	complex1.pdb.gz	62,80,92,96
2	0.01	2nw8A	0.494	3.73	0.059	0.728	0.21	HEM	complex2.pdb.gz	22,89,90,92
3	0.01	3e08G	0.500	3.50	0.041	0.712	0.14	HEM	complex3.pdb.gz	58,91,103,105,107
4	0.01	3bk9A	0.500	3.51	0.041	0.712	0.21	TRP	complex4.pdb.gz	78,89,90
5	0.01	1rx0C	0.479	4.72	0.063	0.864	0.11	2MC	complex5.pdb.gz	103,107,110
6	0.01	2o01B	0.497	4.40	0.064	0.808	0.36	SF4	complex6.pdb.gz	79,90,91,97,98
7	0.01	2nw8A	0.494	3.73	0.059	0.728	0.13	TRP	complex7.pdb.gz	77,78,96
8	0.01	3bk9D	0.481	3.96	0.058	0.752	0.14	TRP	complex8.pdb.gz	78,96,97
9	0.01	3bk9A	0.500	3.51	0.041	0.712	0.14	HEM	complex9.pdb.gz	103,104,105,107
10	0.01	2o01B	0.497	4.40	0.064	0.808	0.35	PQN	complex10.pdb.gz	87,88,89,105

	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.