I-TASSER results

Input Sequence in FASTA format

>protein (136 residues)
MKTGTATTRRRLLAVLIALALPGAAVALLAEPSATGASDPCAASEVARTVGSVAKSMGDY
LDSHPETNQVMTAVLQQQVGPGSVASLKAHFEANPKVASDLHALSQPLTDLSTRCSLPIS
GLQAIGLMQAVQGARR

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 \| \| \| \| \| \| MKTGTATTRRRLLAVLIALALPGAAVALLAEPSATGASDPCAASEVARTVGSVAKSMGDYLDSHPETNQVMTAVLQQQVGPGSVASLKAHFEANPKVASDLHALSQPLTDLSTRCSLPISGLQAIGLMQAVQGARR
Prediction	CCCCCCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHCCCHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHCC
Conf.Score	9887654467899999999999999887567888899999999999999999999999999989578899999998898689999999999979799999999999999999987999996899999999998759
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 \| \| \| \| \| \| MKTGTATTRRRLLAVLIALALPGAAVALLAEPSATGASDPCAASEVARTVGSVAKSMGDYLDSHPETNQVMTAVLQQQVGPGSVASLKAHFEANPKVASDLHALSQPLTDLSTRCSLPISGLQAIGLMQAVQGARR
Prediction	6544444333110000011333322233333344645466133641343344134424420462351241024226445575236404511453352354054034224404741724244441331253245458
	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

CCCCCCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHCCCHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHCC
MKTGTATTRRRLLAVLIALALPGAAVALLAEPSATGASDPCAASEVARTVGSVAKSMGDYLDSHPETNQVMTAVLQQQVGPGSVASLKAHFEANPKVASDLHALSQPLTDLSTRCSLPISGLQAIGLMQAVQGARR

3mayA

1.00

0.63

2.00

MUSTER

----------------------------------------CAASEVARTVGSVAKSMGDYLDSHPETNQVMTAVLQQQVGPGSVASLKAHFEANPKVASDLHALSQPLTDLSTRCSLPISGLQAIG----------

3mayA

1.00

0.63

1.75

dPPAS

----------------------------------------CAASEVARTVGSVAKSMGDYLDSHPETNQVMTAVLQQQVGPGSVASLKAHFEANPKVASDLHALSQPLTDLSTRCSLPISGLQAIG----------

3mayA

1.00

0.63

2.80

wdPPAS

----------------------------------------CAASEVARTVGSVAKSMGDYLDSHPETNQVMTAVLQQQVGPGSVASLKAHFEANPKVASDLHALSQPLTDLSTRCSLPISGLQAIG----------

3mayA

1.00

0.62

2.33

wMUSTER

-----------------------------------------AASEVARTVGSVAKSMGDYLDSHPETNQVMTAVLQQQVGPGSVASLKAHFEANPKVASDLHALSQPLTDLSTRCSLPISGLQAIG----------

3mayA

1.00

0.63

3.89

wPPAS

----------------------------------------CAASEVARTVGSVAKSMGDYLDSHPETNQVMTAVLQQQVGPGSVASLKAHFEANPKVASDLHALSQPLTDLSTRCSLPISGLQAIG----------

3mayA

1.00

0.63

3.62

dPPAS2

----------------------------------------CAASEVARTVGSVAKSMGDYLDSHPETNQVMTAVLQQQVGPGSVASLKAHFEANPKVASDLHALSQPLTDLSTRCSLPISGLQAIG----------

3mayA

1.00

0.63

2.89

PPAS

----------------------------------------CAASEVARTVGSVAKSMGDYLDSHPETNQVMTAVLQQQVGPGSVASLKAHFEANPKVASDLHALSQPLTDLSTRCSLPISGLQAIG----------

3mayA

1.00

0.63

4.11

Env-PPAS

----------------------------------------CAASEVARTVGSVAKSMGDYLDSHPETNQVMTAVLQQQVGPGSVASLKAHFEANPKVASDLHALSQPLTDLSTRCSLPISGLQAIG----------

4clvA

0.07

0.93

0.81

MUSTER

-SRTFRLSVSTLVGALVGVLMAIVGVYVTHSTEEPHTSDSNEREILELKEEEFTARRREIESRLRAANGKLAESIAKNPQPEVEEATREVERAAADLQRATLVHVFEMRAG--------KPEHRAAYDRVLVDALK

5cwiA2

0.15

0.12

0.84

0.70

dPPAS

---ADIAKLCIKAASEAAEAASKAAELAQRHPDSQAARDAIKLASQAAEAVKLACELAQEHPNADIAKKCIKAASEAAEEASKAAEEAQRHPDSQKARDEIKEASQKAEEVKERCER-------------------

(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=-1.40

Estimated TM-score = 0.54±0.15

Estimated RMSD = 7.5±4.3Å

Download Model 2

C-score=-2.28

Download Model 3

C-score=-2.48

Download Model 4

C-score=-2.89

Download Model 5

C-score=-3.23

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	2nuuD	0.548	3.69	0.039	0.801
2	3b9zA	0.512	3.79	0.041	0.757
3	3eloA	0.472	4.58	0.046	0.735
4	1e03L	0.461	4.51	0.098	0.765
5	6cscA	0.455	4.72	0.039	0.787
6	2nuyA	0.453	3.64	0.089	0.632
7	1owbA	0.450	4.63	0.054	0.750
8	1v34A	0.447	5.22	0.023	0.809
9	2bffA	0.447	4.57	0.072	0.794
10	3ba6A4	0.442	4.68	0.066	0.721

(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	0.07	4	3wmnA	MQ8	Rep, Mult	53,57
2	0.07	4	1fxfB	MJI	Rep, Mult	57,60,61,64,69,70
3	0.05	3	2a68F	MG	Rep, Mult	44,46
4	0.05	3	3b9zA	CO2	Rep, Mult	59,101,104,105
5	0.03	2	4uf4B	ZN	Rep, Mult	59,64
6	0.03	2	3fviB	OSF	Rep, Mult	21,54,57,58,71
7	0.03	2	3gi7A	UNL	Rep, Mult	57,60
8	0.03	2	3od2A	NI	Rep, Mult	64,96,100
9	0.02	1	3evjL	NTO	Rep, Mult	44,46,47,112,113,119
10	0.02	1	1kmeB	BGC	Rep, Mult	45,115
11	0.02	1	1hn4A	MJI	Rep, Mult	15,19,23,50,53,54,57,112
12	0.02	1	4rkuF	CLA	Rep, Mult	60,61,97
13	0.02	1	1l8sA	ACT	Rep, Mult	70,87,90,91
14	0.02	1	3mmhB	MG	Rep, Mult	107,108
15	0.02	1	2fflD	MN	Rep, Mult	102,106

	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	0.060	1owsA	0.421	4.30	0.043	0.632	3.1.1.4	NA
2	0.060	3cxhN	0.394	5.23	0.068	0.779	1.10.2.2	75
3	0.060	2zj3A	0.380	4.97	0.057	0.669	2.6.1.16	NA
4	0.060	3eqlD	0.414	4.98	0.083	0.757	2.7.7.6	NA
5	0.060	1cl6A	0.419	5.01	0.023	0.735	1.14.-.-	115
6	0.060	1h19A	0.423	4.70	0.069	0.721	3.3.2.6	105
7	0.060	1mh7A	0.427	4.21	0.053	0.654	3.1.1.4	NA
8	0.060	3eloA	0.472	4.58	0.046	0.735	3.1.1.4	NA
9	0.060	1ctsA	0.449	4.82	0.070	0.787	2.3.3.1,4.1.3.7	64
10	0.060	1qwoA	0.424	4.61	0.023	0.721	3.1.3.8	NA
11	0.060	2rd4A	0.421	4.51	0.032	0.654	3.1.1.4	NA
12	0.060	1e1hD	0.267	4.09	0.042	0.382	3.4.24.69	NA
13	0.060	1jxaA	0.458	4.87	0.056	0.787	2.6.1.16	NA
14	0.060	1k3pA	0.413	4.60	0.053	0.676	2.3.3.1	44
15	0.060	2vf4X	0.395	4.86	0.008	0.676	2.6.1.16	45
16	0.060	1a3dA	0.419	4.30	0.043	0.640	3.1.1.4	NA
17	0.060	1y6oA	0.426	4.68	0.079	0.706	3.1.1.4	NA
18	0.060	1owcA	0.448	4.60	0.047	0.750	2.3.3.1	58,72
19	0.060	1p2yA	0.336	5.22	0.042	0.625	1.14.15.1	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	0.09	0.426	4.68	0.08	0.71	1y6oA	GO:0000187 GO:0002446 GO:0004623 GO:0005102 GO:0005509 GO:0005576 GO:0005622 GO:0006629 GO:0006633 GO:0009986 GO:0010524 GO:0015758 GO:0016042 GO:0016787 GO:0019370 GO:0030593 GO:0032052 GO:0032612 GO:0032637 GO:0032869 GO:0035556 GO:0045740 GO:0045944 GO:0046872 GO:0048146 GO:0050482 GO:0050778 GO:0051092
1	0.07	0.529	3.79	0.06	0.80	2b2fA	GO:0006810 GO:0008519 GO:0015696 GO:0016020 GO:0016021 GO:0072488
2	0.07	0.527	3.74	0.06	0.79	5aexA	GO:0005886 GO:0005887 GO:0006810 GO:0007124 GO:0008519 GO:0015695 GO:0015696 GO:0016020 GO:0016021 GO:0019740 GO:0072488
3	0.07	0.536	3.94	0.04	0.81	3c1gA	GO:0005886 GO:0005887 GO:0006810 GO:0008519 GO:0015292 GO:0015670 GO:0015695 GO:0015696 GO:0016020 GO:0016021 GO:0019740 GO:0072488
4	0.07	0.472	4.58	0.05	0.74	3eloA	GO:0000187 GO:0002227 GO:0002446 GO:0004623 GO:0005102 GO:0005509 GO:0005576 GO:0005615 GO:0006629 GO:0006633 GO:0006644 GO:0006654 GO:0007015 GO:0007165 GO:0009986 GO:0010524 GO:0015758 GO:0016042 GO:0016787 GO:0019370 GO:0019731 GO:0030141 GO:0030593 GO:0032052 GO:0032431 GO:0032637 GO:0032869 GO:0035556 GO:0036148 GO:0036149 GO:0036150 GO:0036151 GO:0036152 GO:0044240 GO:0045740 GO:0045944 GO:0046470 GO:0046872 GO:0047498 GO:0048146 GO:0050482 GO:0050714 GO:0050778 GO:0050830 GO:0051092
5	0.07	0.421	4.57	0.03	0.65	1mh2A	GO:0004623 GO:0005509 GO:0005576 GO:0006629 GO:0016042 GO:0016787 GO:0046872
6	0.06	0.427	4.21	0.05	0.65	1mh7A	GO:0004623 GO:0005509 GO:0005576 GO:0006629 GO:0016042 GO:0016787 GO:0046872
7	0.06	0.416	4.60	0.06	0.65	1owsB	GO:0004623 GO:0005509 GO:0005576 GO:0006629 GO:0016042 GO:0016787 GO:0046872
8	0.06	0.417	4.46	0.05	0.64	1mh2B	GO:0004623 GO:0005509 GO:0005576 GO:0006629 GO:0016042 GO:0016787 GO:0046872
9	0.06	0.548	3.69	0.04	0.80	2nuuD	GO:0005886 GO:0005887 GO:0006810 GO:0008519 GO:0015292 GO:0015670 GO:0015695 GO:0015696 GO:0016020 GO:0016021 GO:0019740 GO:0072488
10	0.06	0.433	4.41	0.04	0.67	2b96A	GO:0004623 GO:0005509 GO:0005576 GO:0006629 GO:0016042 GO:0016787 GO:0046872
11	0.06	0.386	4.41	0.01	0.61	1oqsB	GO:0004623 GO:0005509 GO:0005576 GO:0006629 GO:0016042 GO:0016787 GO:0046872 GO:0072556
12	0.06	0.421	4.30	0.04	0.63	1owsA	GO:0004623 GO:0005509 GO:0005576 GO:0006629 GO:0016042 GO:0016787 GO:0046872
13	0.06	0.419	4.30	0.04	0.64	1a3dA	GO:0004623 GO:0005509 GO:0005576 GO:0006629 GO:0016042 GO:0016787 GO:0046872
14	0.06	0.415	4.73	0.05	0.68	1pwoA
15	0.06	0.427	4.46	0.06	0.68	1gp7A	GO:0004623 GO:0005509 GO:0005576 GO:0006629 GO:0016042 GO:0016787 GO:0046872
16	0.06	0.423	4.80	0.06	0.71	1p7oA	GO:0004623 GO:0005509 GO:0005576 GO:0006629 GO:0016042 GO:0016787 GO:0046872
17	0.06	0.409	4.34	0.09	0.63	1le6A	GO:0004620 GO:0004623 GO:0005509 GO:0005576 GO:0006629 GO:0006654 GO:0007411 GO:0010744 GO:0010884 GO:0016042 GO:0016787 GO:0019369 GO:0032270 GO:0032308 GO:0036148 GO:0036149 GO:0036150 GO:0036151 GO:0036152 GO:0042632 GO:0043030 GO:0043433 GO:0046872 GO:0051977 GO:0090238 GO:0090370
18	0.06	0.402	4.33	0.02	0.63	1aokB	GO:0004623 GO:0005509 GO:0005576 GO:0006629 GO:0016042 GO:0016787 GO:0019835 GO:0035792 GO:0044179 GO:0046872

Consensus prediction of GO terms

Molecular Function	GO:0008324	GO:0052689	GO:0005515	GO:0005496	GO:0004620	GO:0033293	GO:0046872
GO-Score	0.37	0.30	0.30	0.30	0.30	0.30	0.30
Biological Processes	GO:0015696	GO:0098655	GO:0032846	GO:0002684	GO:0006357	GO:0001816	GO:0032147	GO:0071621	GO:0051928	GO:0006275	GO:0046456	GO:0071375	GO:1903963	GO:0008284	GO:0051091	GO:0008645	GO:0032868	GO:0010522	GO:1990266	GO:0051054	GO:0006691	GO:1901575	GO:0006636	GO:0050776	GO:0043406	GO:0045893	GO:0032309	GO:0044712	GO:0048145	GO:0002444
GO-Score	0.37	0.37	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30
Cellular Component	GO:0005623
GO-Score	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 Rv0203

[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]