I-TASSER results

Input Sequence in FASTA format

>protein (129 residues)
MPKAVDRVTRVAADLVDSAAAEGARQSRSAKQQLDHWARVGRAVSNQHTASRRRVEAALA
GHLPMTDLTLEEGVVFNAEISAAIEERLSRTNYGDVLAAQGITTVALNDAGDIVEHRPDG
TSVVLAATP

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 \| \| \| \| \| \| MPKAVDRVTRVAADLVDSAAAEGARQSRSAKQQLDHWARVGRAVSNQHTASRRRVEAALAGHLPMTDLTLEEGVVFNAEISAAIEERLSRTNYGDVLAAQGITTVALNDAGDIVEHRPDGTSVVLAATP
Prediction	CCCCCCCEEEHCHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHCCCCCCCCCHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHCCCEEEHCCCCCEEEHCCCCCCEHCCCCC
Conf.Score	998645367654899999999999985888999999999999999899998999999998589855575778999999999999865788758999998688658876899789987898754446799
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 \| \| \| \| \| \| MPKAVDRVTRVAADLVDSAAAEGARQSRSAKQQLDHWARVGRAVSNQHTASRRRVEAALAGHLPMTDLTLEEGVVFNAEISAAIEERLSRTNYGDVLAAQGITTVALNDAGDIVEHRPDGTSVVLAATP
Prediction	857424321412540153044415244432552152014004104734713263034114451537614653441144413530464375452244146554422122673522443462344326648
	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

                   |                   |                   |                   |                   |                   |

Sec.Str
Seq

CCCCCCCEEEHCHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHCCCCCCCCCHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHCCCEEEHCCCCCEEEHCCCCCCEHCCCCC
MPKAVDRVTRVAADLVDSAAAEGARQSRSAKQQLDHWARVGRAVSNQHTASRRRVEAALAGHLPMTDLTLEEGVVFNAEISAAIEERLSRTNYGDVLAAQGITTVALNDAGDIVEHRPDGTSVVLAATP

5cwpA1

0.13

0.12

0.87

0.79

MUSTER

MSSDEEEARELIERAKEAAERAQEAAERTGDPRVRELARELKRLAQE---AAEEVKRDPSSSDVNEALKLIVEAIEAAVRALEAAERTGDPEVRELARELVRLAV---EAAEEVQRNP-----------

5cwcA2

0.16

0.12

0.75

0.60

dPPAS

SSEVLELAIRLIKECVENAQREGYDISEACRAAAEAFKRVAEAAKRAGITSSETLKRAIEEIRKRVEEAQREGNDISEACRQAAEEFRKKAEELKRR--------------------------------

5ikfB

0.13

0.11

0.84

0.64

wdPPAS

FSRSKPDRPRLNLSLELKLMQNKKQFKGDLRNLAD-WNNLSLVSSKFPSLPITNLRP---GSFLKHRRFNEEIAYNRQTLEKAIKQLDLSPDKVIQLREQNGVAV----NGRVCYPT------------

5cwpA1

0.19

0.16

0.85

0.73

wMUSTER

SSDEEE-----ARELIERAKEAAERAQEAAERTGD--PRVRELARE-----LKRLAQEAAEEVK-RDPSSSDVNEALKLIVEAIEAAVR---ALEAAERTGDPEV--ELARELVRLAVEAAEEVQRN-P

2bsqE

0.13

0.07

0.52

0.67

wPPAS

----ASVVIRLSEATHNAIKFRARAAGRS--TEAEIRLILDNIAKAQQTVRLGSMLASIGQEIGGVELEDVRG--------------------------------------------------------

5cwcA2

0.16

0.12

0.75

0.88

dPPAS2

SSEVLELAIRLIKECVENAQREGYDISEACRAAAEAFKRVAEAAKRAGITSSETLKRAIEEIRK----RVEEAQREGNDISEACRQAAEEFRKKAEELKRR----------------------------

5cwiA2

0.13

0.12

0.88

0.84

PPAS

-ADIAKLCIKAASEAAEAASKAAELAQRHPDSQAARDAIKLASQAA----EAVKLACELAQEHPNADIAKKCIKAASEAAEEASKAAEEAQRHPDSQKARDEIKEASQKAEEVKERCER----------

3j21P

0.09

0.91

0.80

Env-PPAS

MKRTGPTDPNL-RRLIRYLRKKSNEYG------VKIWKDVAWRLERPRRQRAENVSKINRYANDGEMIVVPGSVLGAGKLEKKVIAAWKSETARRKIIEAGGEAITIEE---LIERNPTGSGVRIME--

5cwmA1

0.15

0.13

0.88

0.79

MUSTER

--DPEDELKRVEKLVKEAEELLRQAKEKGSEEDLEKALRTAEEAARE---AKKVLEQAEKEGDPEVALRAVELVVRVAELLLRIAKESGSEEALERALRVAE-EAARLAKRVLELAEKQG---------

5cwmA1

0.14

0.12

0.88

0.58

dPPAS

--DPEDELKRVEKLVKEAEELLRQAKEKGSEEDLEKALRTAEEAARE---AKKVLEQAEKEGDPEVALRAVELVVRVAELLLRIAKESGSEEALERALRVAEEAARLAKRVLELAEKQG----------

(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=-3.78

Estimated TM-score = 0.30±0.10

Estimated RMSD = 13.2±4.1Å

Download Model 2

C-score=-3.94

Download Model 3

C-score=-3.97

Download Model 4

C-score=-4.84

Download Model 5

C-score=-4.72

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	5cwpA	0.704	2.14	0.085	0.830
2	3ay5A2	0.697	2.80	0.083	0.930
3	2jswA	0.691	3.05	0.082	0.946
4	5cwiA	0.681	2.67	0.042	0.876
5	1r0dA	0.678	3.04	0.075	0.930
6	5cwoA1	0.676	2.41	0.083	0.837
7	2msvA	0.670	2.90	0.098	0.868
8	1fbvA	0.654	3.08	0.042	0.884
9	1m56A	0.651	3.17	0.033	0.899
10	3op0A	0.650	2.92	0.085	0.861

(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	0.09	3	3dtuC	TRD	Rep, Mult	9,65,68,69,72
2	0.09	3	1dlqB	LIO	Rep, Mult	8,11
3	0.06	2	3islB	PLP	Rep, Mult	48,49
4	0.06	2	4ezvA	III	Rep, Mult	33,36,98
5	0.03	1	2bsqH	NUC	Rep, Mult	5,7
6	0.03	1	2wpnB	SF4	Rep, Mult	42,47
7	0.03	1	2islB	OXY	Rep, Mult	61,125
8	0.03	1	3dtuC	DXC	Rep, Mult	15,18,19,22,41,44
9	0.03	1	2wse1	CLA	Rep, Mult	38,41
10	0.03	1	3omiC	TRD	Rep, Mult	32,35,39

	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	0.158	3dwwA	0.586	3.26	0.071	0.830	5.3.99.3	75,101
2	0.111	2h8aA	0.578	2.95	0.038	0.791	2.5.1.18	104,107
3	0.060	1fftA	0.635	3.11	0.061	0.884	1.10.3.-	NA
4	0.060	1xmeA	0.647	3.32	0.102	0.915	1.9.3.1	76
5	0.060	1y2mB	0.593	3.48	0.060	0.806	4.3.1.24	NA
6	0.060	2ckpA	0.552	3.30	0.077	0.760	2.7.1.32	NA
7	0.060	1w07B	0.586	3.35	0.127	0.814	1.3.3.6	NA
8	0.060	2wbiB	0.562	3.57	0.058	0.806	1.3.99.-	NA
9	0.060	3fedA	0.600	2.88	0.087	0.798	3.4.17.21	NA
10	0.060	2yyjA	0.571	2.24	0.040	0.674	1.14.13.3	NA
11	0.060	1yrqI	0.570	3.89	0.050	0.876	1.12.2.1	NA
12	0.060	1siqA	0.590	3.76	0.122	0.876	1.3.99.7	56
13	0.060	3ii9C	0.586	3.84	0.078	0.884	1.3.99.7	79
14	0.060	3f2sA	0.580	3.22	0.075	0.798	2.7.1.32	NA
15	0.060	2ix6E	0.606	3.57	0.090	0.868	1.3.3.6	NA
16	0.060	1h2aL	0.584	3.70	0.050	0.868	1.12.2.1	NA
17	0.060	1qleA	0.526	3.65	0.033	0.752	1.9.3.1	NA
18	0.060	1ivhA	0.586	3.69	0.063	0.853	1.3.99.10	22,38
19	0.060	1yqwR	0.571	3.89	0.050	0.876	1.12.2.1	NA
20	0.060	3djlA	0.577	3.89	0.083	0.876	1.3.99.-	NA
21	0.060	2uxwA	0.562	3.48	0.053	0.822	1.3.99.-	56

(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	0.13	0.670	2.90	0.10	0.87	2msvA	GO:0000166 GO:0004672 GO:0005524 GO:0005737 GO:0005829 GO:0005886 GO:0006468 GO:0012501 GO:0016020 GO:0019901 GO:0032403 GO:0070207 GO:0070266
1	0.11	0.691	3.05	0.08	0.95	2jswA	GO:0001726 GO:0003779 GO:0005178 GO:0005200 GO:0005737 GO:0005815 GO:0005856 GO:0005886 GO:0005925 GO:0007016 GO:0007044 GO:0007155 GO:0009986 GO:0016020 GO:0017166 GO:0030054 GO:0030274 GO:0030866 GO:0032403 GO:0032587 GO:0042995 GO:0051015 GO:0070062 GO:0070527
2	0.10	0.666	2.94	0.08	0.92	1r0dA	GO:0003779 GO:0005543 GO:0005737 GO:0005856 GO:0005905 GO:0006897 GO:0006898 GO:0006915 GO:0012505 GO:0016020 GO:0030136 GO:0030276 GO:0030665 GO:0031410 GO:0035091 GO:0043231 GO:0048471 GO:0072583
3	0.09	0.650	2.92	0.09	0.86	3op0A	GO:0001784 GO:0004842 GO:0004871 GO:0005154 GO:0005509 GO:0005634 GO:0007166 GO:0007175 GO:0008270 GO:0016567 GO:0016874 GO:0017124 GO:0023051 GO:0042059 GO:0042787 GO:0043407 GO:0046872 GO:0061630 GO:0070062
4	0.08	0.650	3.17	0.09	0.88	3zniA	GO:0000209 GO:0001784 GO:0004842 GO:0004871 GO:0005509 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0005886 GO:0006607 GO:0007165 GO:0007166 GO:0008270 GO:0009629 GO:0009725 GO:0016567 GO:0016874 GO:0019901 GO:0023051 GO:0045121 GO:0046872
5	0.08	0.680	3.04	0.07	0.95	3ay5A	GO:0005634 GO:0005654 GO:0005737 GO:0007049 GO:0051726
6	0.07	0.654	3.08	0.04	0.88	1fbvA	GO:0001784 GO:0003700 GO:0004842 GO:0004871 GO:0005509 GO:0005634 GO:0005737 GO:0005829 GO:0005886 GO:0005913 GO:0006355 GO:0007166 GO:0007173 GO:0007179 GO:0008270 GO:0008543 GO:0014068 GO:0016020 GO:0016567 GO:0016600 GO:0016874 GO:0017124 GO:0019901 GO:0023051 GO:0042059 GO:0042787 GO:0043066 GO:0045742 GO:0046872 GO:0046875 GO:0048260 GO:0061630 GO:0098609 GO:0098641
7	0.07	0.635	2.42	0.08	0.78	4btfA	GO:0000166 GO:0004672 GO:0005524 GO:0005737 GO:0005886 GO:0006468 GO:0012501 GO:0016020 GO:0019901 GO:0032403 GO:0070207 GO:0070266
8	0.07	0.530	3.72	0.07	0.77	3vrqA	GO:0001784 GO:0004842 GO:0004871 GO:0005154 GO:0005509 GO:0005634 GO:0007166 GO:0007175 GO:0008270 GO:0016567 GO:0016874 GO:0017124 GO:0023051 GO:0042059 GO:0042787 GO:0043407 GO:0046872 GO:0061630 GO:0070062
9	0.07	0.643	3.07	0.08	0.87	3pfvB	GO:0000209 GO:0001784 GO:0004842 GO:0004871 GO:0005509 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0005886 GO:0006607 GO:0007165 GO:0007166 GO:0008270 GO:0009629 GO:0009725 GO:0016567 GO:0016874 GO:0019901 GO:0023051 GO:0045121 GO:0046872
10	0.07	0.500	3.01	0.11	0.67	5ic0A	GO:0001726 GO:0003779 GO:0005178 GO:0005200 GO:0005737 GO:0005815 GO:0005856 GO:0005886 GO:0005925 GO:0007016 GO:0007044 GO:0007155 GO:0009986 GO:0016020 GO:0017166 GO:0030054 GO:0030274 GO:0030866 GO:0032403 GO:0032587 GO:0042995 GO:0051015 GO:0070062 GO:0070527
11	0.06	0.386	4.69	0.02	0.65	2p5oB	GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0004518 GO:0004527 GO:0006260 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0039693 GO:0071897 GO:0090305
12	0.06	0.396	4.11	0.06	0.60	5ekqD	GO:0009279 GO:0016020 GO:0043165 GO:0051205 GO:1990063
13	0.06	0.347	4.03	0.06	0.50	2v57B	GO:0003677 GO:0006351 GO:0006355
14	0.06	0.378	4.16	0.06	0.58	4fkcA	GO:0004177 GO:0006508 GO:0016787 GO:0046872
15	0.06	0.401	4.35	0.05	0.65	2p5oD	GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0004518 GO:0004527 GO:0006260 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0039693 GO:0071897 GO:0090305
16	0.06	0.336	4.00	0.08	0.48	2wgbB	GO:0003677 GO:0006351 GO:0006355
17	0.06	0.328	5.13	0.02	0.57	5er3A	GO:0005886 GO:0015145 GO:0015749 GO:0016021
18	0.06	0.342	4.45	0.06	0.56	3t6pA	GO:0000209 GO:0001666 GO:0001741 GO:0001890 GO:0003713 GO:0004842 GO:0005634 GO:0005737 GO:0005829 GO:0005876 GO:0006351 GO:0006355 GO:0006915 GO:0006921 GO:0007166 GO:0007249 GO:0008270 GO:0009898 GO:0010243 GO:0010803 GO:0010939 GO:0014070 GO:0016740 GO:0016874 GO:0033209 GO:0034121 GO:0035631 GO:0035666 GO:0038061 GO:0039535 GO:0042127 GO:0042981 GO:0043027 GO:0043066 GO:0043123 GO:0043161 GO:0043234 GO:0045088 GO:0045121 GO:0045471 GO:0045595 GO:0046872 GO:0047485 GO:0050727 GO:0051291 GO:0051591 GO:0051726 GO:0060544 GO:0060546 GO:0070266 GO:0070424 GO:0090307 GO:1902443 GO:1902523 GO:1902524 GO:1902527 GO:1990001 GO:2000116 GO:2000377

Consensus prediction of GO terms

Molecular Function	GO:0044877	GO:0008092	GO:0019900	GO:0045309	GO:0019787	GO:0046914
GO-Score	0.45	0.41	0.40	0.34	0.34	0.34
Biological Processes	GO:0032446	GO:0007165
GO-Score	0.34	0.34
Cellular Component	GO:0071944	GO:0043232	GO:0044444	GO:1903561	GO:0031988	GO:0043231	GO:0016020
GO-Score	0.58	0.41	0.40	0.39	0.39	0.34	0.30

(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 Rv0367c

[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]