I-TASSER results

Input Sequence in FASTA format

>protein (137 residues)
MSYVSVLPATLATAATEVARIGSALSLASAVAAAQTSAVQAAAADEVSAAIAALFSAHGR
DFQALSARAAAFHHEFVQALAAGAGSYAVAEIAAASPLQSLIDVFNAPIQAATGRPLIGN
GANGQPGTGAPGGPAGG

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 \| \| \| \| \| \| MSYVSVLPATLATAATEVARIGSALSLASAVAAAQTSAVQAAAADEVSAAIAALFSAHGRDFQALSARAAAFHHEFVQALAAGAGSYAVAEIAAASPLQSLIDVFNAPIQAATGRPLIGNGANGQPGTGAPGGPAGG
Prediction	CCEEHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCC
Conf.Score	97676457999999999999888999988777777654567666578999999999999999999999999999999999998877666777777688999887777888875898888998988888888898999
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 \| \| \| \| \| \| MSYVSVLPATLATAATEVARIGSALSLASAVAAAQTSAVQAAAADEVSAAIAALFSAHGRDFQALSARAAAFHHEFVQALAAGAGSYAVAEIAAASPLQSLIDVFNAPIQAATGRPLIGNGANGQPGTGAPGGPAGG
Prediction	64334132430331043144133214333230133123133334331121013203320430231143033104201411331231224343333333332142234434312222133433433336446645658
	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

CCEEHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCC
MSYVSVLPATLATAATEVARIGSALSLASAVAAAQTSAVQAAAADEVSAAIAALFSAHGRDFQALSARAAAFHHEFVQALAAGAGSYAVAEIAAASPLQSLIDVFNAPIQAATGRPLIGNGANGQPGTGAPGGPAGG

2g38C

0.38

0.21

0.55

1.74

wdPPAS

-------PEALTVAATEVRRIRDRAIQSDAQVAPMTTAVRPPAADLVSEKAATFLVEYARKYRQTIAAAAVVLEEFAHALTTG------------------------------------------------------

2g38C

0.38

0.21

0.55

1.10

wMUSTER

-------PEALTVAATEVRRIRDRAIQSDAQVAPMTTAVRPPAADLVSEKAATFLVEYARKYRQTIAAAAVVLEEFAHALTTG------------------------------------------------------

2g38C

0.38

0.21

0.55

1.81

wPPAS

-------PEALTVAATEVRRIRDRAIQSDAQVAPMTTAVRPPAADLVSEKAATFLVEYARKYRQTIAAAAVVLEEFAHALTTG------------------------------------------------------

2g38C

0.38

0.21

0.55

1.42

dPPAS2

-------PEALTVAATEVRRIRDRAIQSDAQVAPMTTAVRPPAADLVSEKAATFLVEYARKYRQTIAAAAVVLEEFAHALTTG------------------------------------------------------

2g38C

0.38

0.21

0.55

1.11

PPAS

-------PEALTVAATEVRRIRDRAIQSDAQVAPMTTAVRPPAADLVSEKAATFLVEYARKYRQTIAAAAVVLEEFAHALTTG------------------------------------------------------

2g38C

0.38

0.21

0.55

1.20

Env-PPAS

-------PEALTVAATEVRRIRDRAIQSDAQVAPMTTAVRPPAADLVSEKAATFLVEYARKYRQTIAAAAVVLEEFAHALTTG------------------------------------------------------

2g38C

0.38

0.21

0.55

0.79

MUSTER

-------PEALTVAATEVRRIRDRAIQSDAQVAPMTTAVRPPAADLVSEKAATFLVEYARKYRQTIAAAAVVLEEFAHALTTG------------------------------------------------------

2g38C

0.38

0.21

0.55

0.83

dPPAS

-------PEALTVAATEVRRIRDRAIQSDAQVAPMTTAVRPPAADLVSEKAATFLVEYARKYRQTIAAAAVVLEEFAHALTTG------------------------------------------------------

3zbhA

0.16

0.10

0.66

0.76

wdPPAS

-----LTPEELRGVARQYNVESSNVTELIARLDQMSHTL----QGIWEGASSEAFIQQYQELRPSFEKMAVLLNEVGQQLHNSATILEDTDQQIASQIR--------------------------------------

1nlxN

0.21

0.16

0.76

0.75

wMUSTER

-------------ATTEEQKLIEDVNASFRAAMATTANVPPA--DKYKTFEAAFTVSSKRNLADAVSKAP----QLVPKLDEVYNAAYNAADHA-APEDKYEAFVLHFSEAL--R-IIA-GTPEVHAV---------

(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=-2.60

Estimated TM-score = 0.41±0.14

Estimated RMSD = 10.4±4.6Å

Download Model 2

C-score=-2.99

Download Model 3

C-score=-3.36

Download Model 4

C-score=-3.43

Download Model 5

C-score=-4.05

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	4nqiA	0.672	3.11	0.059	0.869
2	3i9wA	0.670	2.96	0.076	0.876
3	3qweA	0.651	3.02	0.120	0.861
4	3pltA	0.651	2.89	0.061	0.839
5	4ckgA	0.646	3.47	0.088	0.869
6	4ut1A	0.640	2.98	0.061	0.832
7	3ok8A	0.637	3.51	0.059	0.869
8	4e40A1	0.636	3.38	0.059	0.876
9	2v0oA	0.635	3.51	0.059	0.869
10	4a01A	0.634	3.26	0.099	0.883

(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	0.08	3	1izlB	CLA	Rep, Mult	25,69
2	0.05	2	5da5E	GOA	Rep, Mult	17,21,73
3	0.05	2	1cc1L	H2S	Rep, Mult	26,29,30,63,66
4	0.05	2	3s6lA	ZN	Rep, Mult	45,73
5	0.05	2	4de6A	ACD	Rep, Mult	22,70,71,74,78
6	0.05	2	1i4d0	III	Rep, Mult	21,24,27,31,34,35,40,51,52,54,55,58,62,94,98,99,102,103,105,106
7	0.05	2	2y30A	SM8	Rep, Mult	51,55,59,63,80,83,86,87
8	0.02	1	3ablA	CDL	Rep, Mult	16,20,23,27
9	0.02	1	3ag4A	CDL	Rep, Mult	75,76,79,93,97,100,104,107
10	0.02	1	3u7qB	IMD	Rep, Mult	46,49
11	0.02	1	3n3uA	ZN	Rep, Mult	46,75
12	0.02	1	1dlqB	LIO	Rep, Mult	51,54
13	0.02	1	1dlmB	LIO	Rep, Mult	54,96

	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	2fenD	0.592	3.49	0.087	0.861	5.5.1.2	NA
2	0.060	1fftA	0.583	4.13	0.084	0.912	1.10.3.-	NA
3	0.060	2frvD	0.580	3.86	0.098	0.869	1.12.2.1	21
4	0.060	3e04D	0.622	3.30	0.086	0.869	4.2.1.2	NA
5	0.060	2fonB	0.570	4.00	0.067	0.825	1.3.3.6	NA
6	0.060	1f1oA	0.610	3.34	0.057	0.839	4.3.2.2	NA
7	0.060	2hvgA	0.563	3.26	0.067	0.759	4.3.2.2	NA
8	0.060	1c3cA	0.561	3.44	0.071	0.774	4.3.2.2	10
9	0.060	2e9fB	0.624	3.76	0.076	0.905	4.3.2.1	NA
10	0.060	1j3uA	0.616	2.99	0.057	0.825	4.3.1.1	NA
11	0.060	2pfmA	0.582	3.66	0.071	0.869	4.3.2.2	NA
12	0.060	1mhyB	0.553	3.81	0.025	0.781	1.14.13.25	NA
13	0.060	1cc1L	0.620	3.63	0.102	0.920	1.12.99.6	NA
14	0.060	1w07B	0.556	4.03	0.102	0.847	1.3.3.6	NA
15	0.060	2vuxB	0.529	3.36	0.054	0.723	1.17.4.1	NA
16	0.060	2bq1I	0.558	3.11	0.044	0.745	1.17.4.1	NA
17	0.060	1xmeA	0.572	3.80	0.081	0.854	1.9.3.1	74
18	0.060	1dcnB	0.620	3.47	0.087	0.869	4.3.2.1	NA
19	0.060	2wpnB	0.598	3.66	0.079	0.869	1.12.7.2	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	0.42	0.582	1.40	0.40	0.62	4kxrA	GO:0005576 GO:0009405
1	0.24	0.575	2.34	0.05	0.69	4nqiD	GO:0000281 GO:0000331 GO:0001891 GO:0005885 GO:0005905 GO:0006909 GO:0007009 GO:0009992 GO:0010324 GO:0031150 GO:0035091 GO:0042803 GO:0045335 GO:0046847 GO:0071476 GO:0072583
2	0.20	0.651	2.89	0.06	0.84	3pltA	GO:0005737 GO:0005938 GO:0006469 GO:0006897 GO:0008289 GO:0009408 GO:0032126
3	0.19	0.646	3.47	0.09	0.87	4ckgA	GO:0005096 GO:0005768 GO:0006810 GO:0015031 GO:0016020 GO:0043547 GO:0046872 GO:0055038
4	0.18	0.651	3.02	0.12	0.86	3qweA	GO:0002230 GO:0005096 GO:0005622 GO:0005829 GO:0007165 GO:0034260 GO:0035556 GO:0043547 GO:0046872 GO:0051056 GO:0098779 GO:0098792
5	0.15	0.604	3.72	0.07	0.86	2d1lA	GO:0001701 GO:0002230 GO:0003779 GO:0003785 GO:0005102 GO:0005737 GO:0005856 GO:0005912 GO:0007009 GO:0007015 GO:0007399 GO:0007517 GO:0010960 GO:0015629 GO:0030036 GO:0030041 GO:0030282 GO:0032233 GO:0034334 GO:0042802 GO:0050680 GO:0051015 GO:0061333 GO:0071498 GO:0072001 GO:0072102 GO:0072160 GO:0098792 GO:2001013
6	0.13	0.471	2.47	0.05	0.59	3wfvA	GO:0005198 GO:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0020002 GO:0033644 GO:0039663 GO:0044174 GO:0044175 GO:0046718 GO:0055036
7	0.09	0.638	2.99	0.07	0.85	1y2oA	GO:0001726 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005913 GO:0007009 GO:0007409 GO:0008022 GO:0008093 GO:0008286 GO:0008360 GO:0009617 GO:0014069 GO:0015629 GO:0016020 GO:0016358 GO:0030141 GO:0030165 GO:0030175 GO:0030838 GO:0032956 GO:0038096 GO:0042802 GO:0042995 GO:0043005 GO:0043025 GO:0043197 GO:0048010 GO:0048167 GO:0051017 GO:0051764 GO:0061003 GO:0070062 GO:0070064 GO:0097481 GO:0098609 GO:0098641 GO:2000251
8	0.08	0.627	3.15	0.07	0.85	3o1jA	GO:0000155 GO:0000160 GO:0000166 GO:0004673 GO:0004871 GO:0005524 GO:0005622 GO:0007165 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0018106 GO:0023014
9	0.08	0.541	3.15	0.02	0.74	3i9yA	GO:0000155 GO:0000160 GO:0000166 GO:0004673 GO:0004871 GO:0005524 GO:0005622 GO:0007165 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0018106 GO:0023014
10	0.08	0.670	2.96	0.08	0.88	3i9wA	GO:0000155 GO:0000160 GO:0000166 GO:0004673 GO:0004721 GO:0004871 GO:0005524 GO:0005622 GO:0005886 GO:0006470 GO:0007165 GO:0009061 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0016868 GO:0018106 GO:0023014 GO:0046777 GO:0071310
11	0.07	0.634	3.09	0.05	0.85	1i49A	GO:0001726 GO:0005525 GO:0005737 GO:0005829 GO:0005886 GO:0005913 GO:0005938 GO:0006928 GO:0007264 GO:0019904 GO:0030032 GO:0030036 GO:0030742 GO:0031529 GO:0032588 GO:0034315 GO:0048365 GO:0070273 GO:0098609 GO:0098641
12	0.07	0.564	3.62	0.10	0.80	4h8sC	GO:0005634 GO:0005737 GO:0005768 GO:0007049 GO:0007165 GO:0008283 GO:0010008 GO:0016020 GO:0016581 GO:0031901 GO:0070062
13	0.07	0.553	4.05	0.06	0.88	2q13A	GO:0005634 GO:0005737 GO:0005768 GO:0005829 GO:0007049 GO:0007165 GO:0008283 GO:0008286 GO:0010008 GO:0012506 GO:0016020 GO:0016581 GO:0031901 GO:0042802 GO:0043422 GO:0046324 GO:0070062 GO:0090003 GO:0097192
14	0.07	0.480	2.32	0.04	0.60	1qbzA	GO:0005198 GO:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0020002 GO:0033644 GO:0039663 GO:0044174 GO:0044175 GO:0046718 GO:0055036
15	0.07	0.360	4.21	0.04	0.55	1i1iP	GO:0004222 GO:0005737 GO:0005739 GO:0005758 GO:0005829 GO:0006508 GO:0006518 GO:0008233 GO:0008237 GO:0016787 GO:0046872 GO:0070012
16	0.07	0.482	3.12	0.07	0.64	4reuA	GO:0005737 GO:0006826 GO:0006879 GO:0008199 GO:0046872
17	0.06	0.401	3.80	0.05	0.59	2o36A	GO:0004222 GO:0005737 GO:0005758 GO:0006508 GO:0006518 GO:0008233 GO:0008237 GO:0016787 GO:0042277 GO:0046872
18	0.06	0.402	4.61	0.09	0.66	2h1yB	GO:0003824 GO:0004314 GO:0008152 GO:0016740 GO:0016746
19	0.06	0.339	5.29	0.02	0.64	4h6dE	GO:0009228 GO:0009229
20	0.06	0.425	4.96	0.04	0.74	2o2dB	GO:0004347 GO:0005777 GO:0006094 GO:0006096 GO:0016853 GO:0020015
21	0.06	0.379	4.46	0.03	0.59	4b2qE	GO:0000166 GO:0005524 GO:0005739 GO:0005743 GO:0005754 GO:0005758 GO:0005829 GO:0006626 GO:0006754 GO:0006810 GO:0006811 GO:0015986 GO:0015991 GO:0015992 GO:0016020 GO:0016787 GO:0016820 GO:0016887 GO:0033178 GO:0045261 GO:0046034 GO:0046933 GO:0046961

Consensus prediction of GO terms

Molecular Function	GO:0042802	GO:0005543	GO:0046983	GO:0005096	GO:0046872
GO-Score	0.48	0.48	0.48	0.34	0.34
Biological Processes	GO:0006898	GO:1903047	GO:0030104	GO:0055082	GO:0010256	GO:0031154	GO:0061640	GO:0030031	GO:0071470	GO:0044765	GO:0006884	GO:0006971	GO:0044802	GO:0009405	GO:0001933	GO:0033673	GO:0009266	GO:0045859	GO:0071702	GO:0045184	GO:0098780	GO:0000423	GO:1902531	GO:0007264	GO:0051346	GO:0050691	GO:0043547
GO-Score	0.48	0.48	0.48	0.48	0.48	0.48	0.48	0.48	0.48	0.48	0.48	0.48	0.48	0.42	0.40	0.40	0.40	0.40	0.38	0.38	0.37	0.37	0.37	0.37	0.37	0.37	0.34
Cellular Component	GO:0098589	GO:0044459	GO:0043234	GO:0030139	GO:0015629	GO:0044430	GO:0005576	GO:0099568	GO:0010008	GO:0055037
GO-Score	0.48	0.48	0.48	0.48	0.48	0.48	0.42	0.40	0.38	0.38

(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 Rv0832

[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]