I-TASSER results

Input Sequence in FASTA format

>protein (155 residues)
MTCPSLVGLRTEAAELSYSDQPDALGVAMRERREQQNLVRPPRRNASRRINTDQTSTKYV
YITYMPETLTGRLNFRLSPEQEQALRHAAALTGQSLSGFVLSAAVDHAHDLLARANRIEL
SEAAFRRFVAALDEPDEAAPELVRLARRKSRIPPH

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| MTCPSLVGLRTEAAELSYSDQPDALGVAMRERREQQNLVRPPRRNASRRINTDQTSTKYVYITYMPETLTGRLNFRLSPEQEQALRHAAALTGQSLSGFVLSAAVDHAHDLLARANRIELSEAAFRRFVAALDEPDEAAPELVRLARRKSRIPPH
Prediction	CCCCCCCCCCHHHHHCCCCCCHHHHHHHHHHCHHHHCCCCCCCHHHHEHCCCCCCCCCCCCCCCCCCCCCCCEEEHCCHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHCCCCCCHHHHHHHHCCCCCCCC
Conf.Score	98765555544444445555555654445555677657899964543444345666666554577876555487659999999999999998999879999999999999999986643699999999999985987679999999867888999
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| MTCPSLVGLRTEAAELSYSDQPDALGVAMRERREQQNLVRPPRRNASRRINTDQTSTKYVYITYMPETLTGRLNFRLSPEQEQALRHAAALTGQSLSGFVLSAAVDHAHDLLARANRIELSEAAFRRFVAALDEPDEAAPELVRLARRKSRIPPH
Prediction	75145334244433514255445234243434547463343344423331334324343333441464454304230466335104300634744122201420263045114634324034720530251055246426404500754563578
	Values range from 0 (buried residue) to 8 (highly exposed residue)

Predicted Normalized B-facotr

(B-factor is a value to indicate the extent of the inherent thermal mobility of residues/atoms in proteins. In I-TASSER, this value is deduced from threading template proteins from the PDB in combination with the sequence profiles derived from sequence databases. The reported B-factor profile in the figure below corresponds to the normalized B-factor of the target protein, defined by B=(B'-u)/s, where B' is the raw B-factor value, u and s are respectively the mean and standard deviation of the raw B-factors along the sequence. (Click here to read more about predicted normalized B-factor)

Top 10 threading templates used by I-TASSER

Rank

PDB
Hit

Iden1

Iden2

Cov

Norm.
Zscore

Download
Align.

                  20                  40                  60                  80                 100                 120                 140

                   |                   |                   |                   |                   |                   |                   |

Sec.Str
Seq

CCCCCCCCCCHHHHHCCCCCCHHHHHHHHHHCHHHHCCCCCCCHHHHEHCCCCCCCCCCCCCCCCCCCCCCCEEEHCCHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHCCCCCCHHHHHHHHCCCCCCCC
MTCPSLVGLRTEAAELSYSDQPDALGVAMRERREQQNLVRPPRRNASRRINTDQTSTKYVYITYMPETLTGRLNFRLSPEQEQALRHAAALTGQSLSGFVLSAAVDHAHDLLARANRIELSEAAFRRFVAALDEPDEAAPELVRLARRKSRIPPH

1y9bA

0.30

0.15

0.51

1.76

dPPAS

-------------------------------------------------------------------TTLPRITARVDVDTQDLLAKAAALAGSSINSFVLNAAIEKAKQVIEREQALKL-SQADAVLLEALDNPAVVNAKLKLASE--------

1y9bA

0.30

0.15

0.51

2.74

wdPPAS

-------------------------------------------------------------------TTLPRITARVDVDTQDLLAKAAALAGSSINSFVLNAAIEKAKQVIEREQALKL-SQADAVLLEALDNPAVVNAKLKLASE--------

1y9bA

0.29

0.15

0.50

1.18

wMUSTER

--------------------------------------------------------------------TLPRITARVDVDTQDLLAKAAALAGSSINSFVLNAAIEKAKQVIEREQALKL-SQADAVLLEALDNPAVVNAKLKLASE--------

1y9bA

0.30

0.15

0.51

2.43

wPPAS

-------------------------------------------------------------------TTLPRITARVDVDTQDLLAKAAALAGSSINSFVLNAAIEKAKQVIEREQALKL-SQADAVLLEALDNPAVVNAKLKLASE--------

1y9bA

0.30

0.15

0.51

3.50

dPPAS2

-------------------------------------------------------------------TTLPRITARVDVDTQDLLAKAAALAGSSINSFVLNAAIEKAKQVIEREQALKL-SQADAVLLEALDNPAVVNAKLKLASE--------

1y9bA

0.30

0.15

0.51

1.91

PPAS

-------------------------------------------------------------------TTLPRITARVDVDTQDLLAKAAALAGSSINSFVLNAAIEKAKQVIEREQALKL-SQADAVLLEALDNPAVVNAKLKLASE--------

1y9bA

0.30

0.15

0.51

2.21

Env-PPAS

-------------------------------------------------------------------TTLPRITARVDVDTQDLLAKAAALAGSSINSFVLNAAIEKAKQVIEREQALKL-SQADAVLLEALDNPAVVNAKLKLASE--------

1y9bA

0.30

0.15

0.51

0.91

MUSTER

-------------------------------------------------------------------TTLPRITARVDVDTQDLLAKAAALAGSSINSFVLNAAIEKAKQVIEREQALKL-SQADAVLLEALDNPAVVNAKLKLASE--------

5cwmA1

0.16

0.12

0.74

0.67

dPPAS

-------DPEDELKRV-----EKLVKEAEELLRQAKEKGSEEDLEKALRTAEEA------------------------AREAKKVLEQAEKEGDPEVALRAVELVVRVAELLLRIAKESGSEEALERALRVAEEAARLAKRVLELAEKQG-----

4p7dA

0.14

0.09

0.66

0.72

wdPPAS

GYFPDIDG--ADISKNA----EEAFAVHIEA-LNEGFPLPSPPKDPHRYIDDPRLKEEGGILGFVEESKAVKFNLTS-QNLLTAIDKFIATNYKNRSQFLAELAREKIIS---------------------------------------------

(a)	Iden1 is the number of template residues identical to query divided by number of aligned residues.
(b)	Iden2 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.
(e)	Download Align. list the threading program used to identify the template provide the 3D structure of aligned regions of threading templates.

Top 5 final models predicted by I-TASSER

(For each target, I-TASSER simulations generate a large ensemble of structural conformations, called decoys. To select the final models, I-TASSER uses the SPICKER program to cluster all the decoys based on the pair-wise structure similarity, and reports up to five models which corresponds to the five largest structure clusters. The confidence of each model is quantitatively measured by C-score that is calculated based on the significance of threading template alignments and the convergence parameters of the structure assembly simulations. C-score is typically in the range of [-5, 2], where a C-score of higher value signifies a model with a high confidence and vice-versa. TM-score and RMSD are estimated based on C-score and protein length following the correlation observed between these qualities. Since the top 5 models are ranked by the cluster size, it is possible that the lower-rank models have a higher C-score in rare cases. Although the first model has a better quality in most cases, it is also possible that the lower-rank models have a better quality than the higher-rank models as seen in our benchmark tests. If the I-TASSER simulations converge, it is possible to have less than 5 clusters generated. This is usually an indication that the models have a good quality because of the converged simulations.)

More about C-score

Local structure accuracy of first model

Download Model 1

C-score=-2.18

Estimated TM-score = 0.46±0.15

Estimated RMSD = 9.6±4.6Å

Download Model 2

C-score=-2.17

Download Model 3

C-score=-1.82

Download Model 4

C-score=-3.32

Download Model 5

C-score=-2.27

Proteins structureally close to the target in PDB (as identified by TM-align

(After the structure assembly simulation, I-TASSER uses the TM-align structural alignment program to match the first I-TASSER model to all structures in the PDB library. This section reports the top 10 proteins from the PDB that have the closest structural similarity, i.e. the highest TM-score, to the predicted I-TASSER model. Due to the structural similarity, these proteins often have similar function to the target. However, users are encouraged to use the data in the next section 'Predicted function using COACH' to infer the function of the target protein, since COACH has been extensively trained to derive biological functions from multi-source of sequence and structure features which has on average a higher accuracy than the function annotations derived only from the global structure comparison.)

Top 10 Identified stuctural analogs in PDB

Rank	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov
1	5cwbA	0.723	3.07	0.059	0.974
2	5cwdA	0.710	3.19	0.133	0.948
3	5cwlA	0.674	3.84	0.086	0.974
4	2fulE	0.637	3.66	0.049	0.903
5	2iu1A	0.632	3.48	0.081	0.877
6	4c0eA	0.628	3.96	0.075	0.942
7	3l6aA	0.627	3.62	0.088	0.877
8	5l4kZ	0.622	3.83	0.079	0.903
9	4by6A	0.619	3.96	0.027	0.929
10	4c0dA	0.614	3.98	0.048	0.935

(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 function using COACH

(This section reports biological annotations of the target protein by COACH based on the I-TASSER structure prediction. COACH is a meta-server approach that combines multiple function annotation results from the COFACTOR, TM-SITE and S-SITE programs.)

Ligand binding sites

Rank	C-score	Cluster size	PDB Hit	Lig Name	Download Complex	Ligand Binding Site Residues
1	0.06	3	1bdvA	NUC	Rep, Mult	74,76,86,95,96
2	0.06	3	4zzcA	XE	Rep, Mult	100,128,131
3	0.04	2	3trpA	CA	Rep, Mult	133,135,136,141
4	0.04	2	2rg8A	NA	Rep, Mult	97,101,102,140,141,144,146
5	0.04	2	4izuA	1HC	Rep, Mult	79,124,127
6	0.04	2	4jxtA	III	Rep, Mult	56,57,58,60,102,105,106,109,144,148,152
7	0.02	1	3obvB	SUC	Rep, Mult	74,103,104,107,108,112
8	0.02	1	1h2u0	III	Rep, Mult	108,113,114,148
9	0.02	1	3a6pA	III	Rep, Mult	108,118,128
10	0.02	1	2bnwB	NUC	Rep, Mult	55,76
11	0.02	1	4n7tB	AZI	Rep, Mult	102,105,145,148
12	0.02	1	3obvA	SUC	Rep, Mult	97,101,105,126,129
13	0.02	1	1vd5A	GLY	Rep, Mult	85,101
14	0.02	1	1vykA	ZN	Rep, Mult	87,96
15	0.02	1	3b2xA	NA	Rep, Mult	109,110,111,112,114
16	0.02	1	3rj8A	ZN	Rep, Mult	106,107
17	0.02	1	3k7tA	GP7	Rep, Mult	66,71
18	0.02	1	3hzgC	FAD	Rep, Mult	54,59
19	0.02	1	2wse1	CLA	Rep, Mult	98,99,132

	Download the all possible binding ligands and detailed prediction summary.
	Download the templates clustering results.
(a)	C-score is the confidence score of the prediction. C-score ranges [0-1], where a higher score indicates a more reliable prediction.
(b)	Cluster size is the total number of templates in a cluster.
(c)	Lig Name is name of possible binding ligand. Click the name to view its information in the BioLiP database.
(d)	Rep is a single complex structure with the most representative ligand in the cluster, i.e., the one listed in the Lig Name column. Mult is the complex structures with all potential binding ligands in the cluster.

Enzyme Commission (EC) numbers and active sites

Rank	Cscore^EC	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov	EC Number	Active Site Residues
1	0.067	1ujkB	0.525	3.88	0.065	0.787	3.4.23.46	NA
2	0.060	2jepA	0.545	4.47	0.044	0.871	3.2.1.151	141
3	0.060	2cerA	0.563	4.65	0.069	0.916	3.2.1.23	NA
4	0.060	1kfwA	0.566	3.99	0.054	0.832	3.2.1.14	NA
5	0.060	1gowA	0.559	4.77	0.048	0.923	3.2.1.23	NA
6	0.060	1d2kA	0.527	3.85	0.063	0.761	3.2.1.14	NA
7	0.060	1bwkA	0.547	4.46	0.050	0.865	1.6.99.1	NA
8	0.060	1q45B	0.528	4.71	0.058	0.877	1.3.1.42	87
9	0.060	3b9eA	0.555	4.04	0.063	0.826	3.2.1.14	NA
10	0.060	1vbgA	0.561	4.08	0.092	0.832	2.7.9.1	NA
11	0.060	2z1sA	0.557	4.43	0.091	0.884	3.2.1.21	109
12	0.060	2e9lA	0.509	5.00	0.029	0.845	3.2.1.21	NA
13	0.060	1gnxA	0.580	4.46	0.070	0.890	3.2.1.21	NA
14	0.060	1edgA	0.544	4.29	0.090	0.858	3.2.1.4	141
15	0.060	2a3eA	0.547	3.87	0.094	0.800	3.2.1.14	4
16	0.060	1y5mA	0.539	4.23	0.061	0.819	1.1.1.146	NA
17	0.060	1e6zB	0.547	4.04	0.062	0.832	3.2.1.14	NA
18	0.060	1veoA	0.554	4.23	0.053	0.852	3.2.1.2	NA
19	0.060	1b90A	0.553	4.26	0.053	0.852	3.2.1.2	110
20	0.060	3dwfB	0.541	4.02	0.039	0.813	1.1.1.146	NA

(a)	Cscore^EC is the confidence score for the 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.

Gene Ontology (GO) terms

Rank	Cscore^GO	TM-score	RMSD^a	IDEN^a	Cov	PDB Hit	Associated GO Terms
Homologous GO templates in PDB
0	0.16	0.641	3.48	0.06	0.90	1paqA	GO:0003743 GO:0005085 GO:0005851 GO:0006412 GO:0006413 GO:0006417 GO:0006446 GO:0009058 GO:0016779 GO:0032045 GO:0043547
1	0.09	0.641	3.56	0.06	0.91	2fulA	GO:0000166 GO:0001732 GO:0003743 GO:0005092 GO:0005096 GO:0005525 GO:0006412 GO:0006413 GO:0006446 GO:0022627 GO:0031369 GO:0033290 GO:0042256 GO:0043547 GO:0043614 GO:0045947 GO:0050790
2	0.07	0.637	3.66	0.05	0.90	2fulE	GO:0000166 GO:0001732 GO:0003743 GO:0005092 GO:0005096 GO:0005525 GO:0006412 GO:0006413 GO:0006446 GO:0022627 GO:0031369 GO:0033290 GO:0042256 GO:0043547 GO:0043614 GO:0045947 GO:0050790
3	0.07	0.632	3.48	0.08	0.88	2iu1A	GO:0000166 GO:0003743 GO:0003924 GO:0005525 GO:0005634 GO:0005737 GO:0005829 GO:0005886 GO:0005913 GO:0006412 GO:0006413 GO:0006446 GO:0008135 GO:0044822 GO:0098609 GO:0098641
4	0.07	0.520	4.05	0.07	0.76	4rlvA	GO:0002027 GO:0003283 GO:0005200 GO:0005622 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0006874 GO:0006888 GO:0007165 GO:0007399 GO:0008093 GO:0010628 GO:0010881 GO:0010882 GO:0014704 GO:0016020 GO:0016323 GO:0016324 GO:0019899 GO:0019901 GO:0030018 GO:0030054 GO:0030315 GO:0030507 GO:0030674 GO:0030913 GO:0031430 GO:0031647 GO:0031672 GO:0033292 GO:0033365 GO:0034394 GO:0034613 GO:0036309 GO:0036371 GO:0042383 GO:0043005 GO:0043034 GO:0043268 GO:0044325 GO:0045121 GO:0045202 GO:0045211 GO:0050821 GO:0051117 GO:0051279 GO:0051597 GO:0051924 GO:0051928 GO:0055117 GO:0060307 GO:0070296 GO:0070972 GO:0072659 GO:0072661 GO:0086004 GO:0086005 GO:0086014 GO:0086015 GO:0086046 GO:0086066 GO:0086070 GO:0086091 GO:0098907 GO:0098910 GO:1901018 GO:1901019 GO:1901021 GO:2001259
5	0.07	0.509	3.69	0.07	0.73	5et1A	GO:0003779 GO:0005737 GO:0005856 GO:0005902 GO:0005903 GO:0007605 GO:0007626 GO:0015629 GO:0017124 GO:0030046 GO:0030054 GO:0031941 GO:0032420 GO:0032421 GO:0032426 GO:0042995 GO:0043197 GO:0051015 GO:0051017 GO:0051491 GO:0051494 GO:0051639
6	0.07	0.622	4.09	0.04	0.92	3juiA	GO:0001541 GO:0003743 GO:0005085 GO:0005634 GO:0005737 GO:0005829 GO:0005851 GO:0006412 GO:0006413 GO:0006417 GO:0007568 GO:0009408 GO:0009749 GO:0014002 GO:0014003 GO:0031369 GO:0032057 GO:0034976 GO:0035690 GO:0042552 GO:0043434 GO:0043547 GO:0045948 GO:0048708
7	0.07	0.461	4.91	0.11	0.82	2btpA	GO:0005737 GO:0005739 GO:0005829 GO:0005925 GO:0006605 GO:0007264 GO:0008022 GO:0016020 GO:0019904 GO:0021762 GO:0030659 GO:0034766 GO:0043234 GO:0044325 GO:0045892 GO:0047485 GO:0061024 GO:0070062 GO:0071889 GO:1900740
8	0.07	0.425	4.75	0.05	0.70	4otkA	GO:0005618 GO:0005886 GO:0016491 GO:0040007 GO:0055114
9	0.06	0.486	4.28	0.06	0.74	1s70B	GO:0005737 GO:0007165 GO:0019208 GO:0019901 GO:0030018 GO:0030155 GO:0031672 GO:0035507 GO:0071889 GO:0072357
10	0.06	0.407	4.12	0.06	0.60	3wpnA	GO:0000166 GO:0000922 GO:0003777 GO:0005524 GO:0005737 GO:0005819 GO:0005829 GO:0005856 GO:0005871 GO:0005874 GO:0005876 GO:0006890 GO:0007018 GO:0007049 GO:0007051 GO:0007052 GO:0007059 GO:0007067 GO:0007100 GO:0008017 GO:0008574 GO:0016020 GO:0019886 GO:0019901 GO:0032403 GO:0046602 GO:0051225 GO:0051301 GO:0090307
11	0.06	0.432	4.62	0.08	0.72	2j66A	GO:0003824 GO:0008836 GO:0009089 GO:0016829 GO:0016831 GO:0017000 GO:0042803
12	0.06	0.416	4.64	0.09	0.66	1v4vA	GO:0008761 GO:0016853
13	0.06	0.309	5.80	0.04	0.60	3j7y7	GO:0000002 GO:0000166 GO:0003723 GO:0004827 GO:0005739 GO:0005743 GO:0005761 GO:0005840 GO:0006418 GO:0006433 GO:0016876 GO:0030529 GO:0044822 GO:0070125 GO:0070126
14	0.06	0.284	5.48	0.06	0.54	3h7mA	GO:0000155 GO:0000160 GO:0000166 GO:0005524 GO:0005622 GO:0007165 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0023014
15	0.06	0.355	3.17	0.08	0.48	2zgdA
16	0.06	0.441	4.96	0.07	0.74	4x0tA	GO:0004029 GO:0004043 GO:0005634 GO:0005737 GO:0005739 GO:0005759 GO:0005829 GO:0006081 GO:0006554 GO:0007605 GO:0008152 GO:0008802 GO:0016491 GO:0016620 GO:0019285 GO:0042426 GO:0055114 GO:0070062
17	0.06	0.278	3.78	0.04	0.39	2ktbB	GO:0000228 GO:0003677 GO:0003682 GO:0005634 GO:0005654 GO:0006338 GO:0006351 GO:0006355 GO:0007067 GO:0008285 GO:0016568 GO:0090544
18	0.06	0.301	4.82	0.03	0.52	3kf9A	GO:0005509 GO:0007049 GO:0007067 GO:0046872 GO:0051301

Consensus prediction of GO terms

Molecular Function	GO:0032550	GO:0032561	GO:0035639	GO:0003743	GO:0016772	GO:0005515	GO:0030695	GO:0008047
GO-Score	0.42	0.42	0.42	0.33	0.31	0.31	0.31	0.31
Biological Processes	GO:0043087	GO:0051345	GO:0006446	GO:0017148	GO:0042255	GO:0002183
GO-Score	0.57	0.57	0.33	0.31	0.31	0.31
Cellular Component	GO:0043234	GO:0015935	GO:0022626	GO:0070993
GO-Score	0.31	0.31	0.31	0.31

(a)	Cscore^GO is a combined measure for evaluating global and local similarity between query and template protein. It's range is [0-1] and higher values indicate more confident predictions.
(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.
(f)	The second table shows a consensus GO terms amongst the top scoring templates. The GO-Score associated with each prediction is defined as the average weight of the GO term, where the weights are assigned based on Cscore^GO of the template.

[Click on result.tar.bz2 to download the tarball file including all modelling results listed on this page]

Please cite the following articles when you use the I-TASSER server:
1.	J Yang, R Yan, A Roy, D Xu, J Poisson, Y Zhang. The I-TASSER Suite: Protein structure and function prediction. Nature Methods, 12: 7-8, 2015.
2.	J Yang, Y Zhang. I-TASSER server: new development for protein structure and function predictions, Nucleic Acids Research, 43: W174-W181, 2015.
3.	A Roy, A Kucukural, Y Zhang. I-TASSER: a unified platform for automated protein structure and function prediction. Nature Protocols, 5: 725-738, 2010.
4.	Y Zhang. I-TASSER server for protein 3D structure prediction. BMC Bioinformatics, 9: 40, 2008.

I-TASSER results for job id Rv2803

[Click on result.tar.bz2 to download the tarball file including all modelling results listed on this page]

[Click on result.tar.bz2 to download the tarball file including all modelling results listed on this page]