I-TASSER results

Input Sequence in FASTA format

>protein (115 residues)
MTASVVATSRERHSHKAAKQRACEITDFEPEGRFRVRKRRRGRIGTKRSSISDTDYRRDS
FRSHLLTAGAHGDADAQHKGMTAQQTTELGTPLVRALAPHGVSGRSSRKPLGLNP

Predicted Secondary Structure

Sequence	20 40 60 80 100 \| \| \| \| \| MTASVVATSRERHSHKAAKQRACEITDFEPEGRFRVRKRRRGRIGTKRSSISDTDYRRDSFRSHLLTAGAHGDADAQHKGMTAQQTTELGTPLVRALAPHGVSGRSSRKPLGLNP
Prediction	CCCEEEHCHHHHHHHHHHHHHHHHCCCCCCCCEEEEEEHCCCCCCCCCCCCCCCHHHHHHHHHHHHHCCCCCCCHHHHHCCCHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCC
Conf.Score	9754654346788899999986544567888758887643367677666677555556788888764677788645664754565455546889987566888877788889999
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 \| \| \| \| \| MTASVVATSRERHSHKAAKQRACEITDFEPEGRFRVRKRRRGRIGTKRSSISDTDYRRDSFRSHLLTAGAHGDADAQHKGMTAQQTTELGTPLVRALAPHGVSGRSSRKPLGLNP
Prediction	7434233334643535415543151461447243334544544334545515546244641443123223435453545424354336233300411143325445544437468
	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

                   |                   |                   |                   |                   |

Sec.Str
Seq

CCCEEEHCHHHHHHHHHHHHHHHHCCCCCCCCEEEEEEHCCCCCCCCCCCCCCCHHHHHHHHHHHHHCCCCCCCHHHHHCCCHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCC
MTASVVATSRERHSHKAAKQRACEITDFEPEGRFRVRKRRRGRIGTKRSSISDTDYRRDSFRSHLLTAGAHGDADAQHKGMTAQQTTELGTPLVRALAPHGVSGRSSRKPLGLNP

5j43F

0.18

0.15

0.83

0.55

MUSTER

KTVDKLNQKQESAIKKIDNTIKNALKDHDIIG---TLKDMDGKPVPKENGMQEMQNTLRGLRNHADTLKNVNNPEAQAA---YGRATDAINKIESALKGYGI-------------

2cu7A

0.17

0.10

0.62

0.60

dPPAS

-----------------------------------------GSSGSSGYSVKWTIEEKELFEQGLAKFGRRWTKISKLIGRTVLQVKSYARQYFKNKVKCGLDKETPNQKTG---

2he7A3

0.17

0.11

0.65

0.59

wdPPAS

-------CSFVTLALLGSYTVQSELGDYDPD--------------CGSDYISEFRFHTKELEDKVIEL------HKSHRGMTPAEAEMHFLENAKKLSMYGV-------------

2w0cT

0.29

0.26

0.89

0.58

wMUSTER

LAAGVGVWFYQK-ADNAAKTATKPIADFLAELQFLVNK-NAGFVLT-RDALQD-DF-DDRIKAWL---GTH-D---RHKDFLAEHERRV-KPVYRKLIGNIIDASTIRAASGVEL

1s1i0

0.35

0.23

0.68

0.55

wPPAS

-------TKK-RHSDR--YHR---VAE-KQKG-SVVRRRFRGNI-----SQPKIGYGSNK-K-FLSPSGVANVKD-MHTKTYA----------AE-IA-HNISAKN-RV-LGTNP

4gibA2

0.17

0.10

0.63

0.56

dPPAS2

---------TAYYHYMAWRKLAHKVIDIDTK----FNESLKG--------IS----RMESLDRILEFGNKKYSFSEEEKVRMAEEKNNYYVSLIDEI------------------

4jcuA

0.17

0.16

0.91

0.60

PPAS

STDNL-PEPRIPELLQKLNGVLLARPDIFPVGRARAYRLSEYALADSS----EPS---DAF--HLRLQIGAGRSEEVKKETGDALFAVLTDHFAAEFAQRGLSEAGTWKKNNIHA

1nfdE2

0.29

0.23

0.79

0.74

Env-PPAS

SSPKVTPSPEELRTNKAT--LVCLVNDFYPGSTWKAATINDGVKTTKPSKQGQN-Y---MTSSYLLTA----DQWKSHNRVSCQVTHE-GETVEKSLSPECL-------------

2w0cT

0.25

0.23

0.93

0.55

MUSTER

ILAAGVGVWFYQKADNAAKTATKPIADFLAELQFLVKFPNAGFVLT-RDALQD-DFYDDRIKAWLGTHDRHKDFLAE---LDHERRVK---PVYRKLIGNIIDASTIRAASGVEL

5j43F

0.18

0.15

0.83

0.60

dPPAS

KTVDKLNQKQESAIKKIDNTIKNALKDHDIIG---TLKDMDGKPVPKENGMQEMQNTLRGLRNHADTLKNVNNPEAQAA---YGRATDAINKIESALKGYGI-------------

(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=-4.12

Estimated TM-score = 0.28±0.09

Estimated RMSD = 13.8±3.9Å

Download Model 2

C-score=-4.56

Download Model 3

C-score=-5.00

Download Model 4

C-score=-4.94

Download Model 5

C-score=-5.00

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	2f6dA2	0.584	4.03	0.018	0.904
2	1hn0A	0.578	3.56	0.060	0.861
3	3m1cA	0.571	3.58	0.101	0.861
4	3a6pA	0.567	3.65	0.019	0.861
5	3msvA3	0.567	3.10	0.074	0.783
6	3vsmA1	0.566	3.63	0.072	0.844
7	1n7qA	0.563	3.69	0.060	0.835
8	3p8cB1	0.556	3.38	0.071	0.817
9	3x0uA	0.556	4.13	0.038	0.861
10	5bv9A	0.555	3.39	0.077	0.809

(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	0.11	4	3dhgE	CA	Rep, Mult	59,63
2	0.10	4	4zdrA	TME	Rep, Mult	25,89
3	0.05	2	1nwkA	CA	Rep, Mult	53,55
4	0.05	2	3c67A	GLC	Rep, Mult	20,21,22,25,26,29
5	0.03	1	1ucgA	MN	Rep, Mult	15,19
6	0.03	1	1utzB	PF3	Rep, Mult	106,107,115
7	0.03	1	1r3nA	BIB	Rep, Mult	71,114
8	0.03	1	3v5aA	CO3	Rep, Mult	95,108
9	0.03	1	3huxP	MG	Rep, Mult	45,62
10	0.03	1	1j6zA	CA	Rep, Mult	27,29
11	0.03	1	3m1cA	XYL	Rep, Mult	2,7,9,62

	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	1cyfA	0.509	4.28	0.059	0.861	1.11.1.5	21
2	0.060	1gaiA	0.541	3.91	0.066	0.852	3.2.1.3	88
3	0.060	1rw9A	0.550	3.49	0.072	0.826	4.2.2.5	NA
4	0.060	1is9A	0.500	4.08	0.067	0.800	3.2.1.4	17
5	0.060	2p0mA	0.501	4.80	0.061	0.939	1.13.11.33	NA
6	0.060	1mc0A	0.306	5.06	0.049	0.626	3.1.4.17	91,97
7	0.060	2p0mB	0.496	4.72	0.055	0.896	1.13.11.33	59
8	0.060	1ut9A	0.516	3.80	0.108	0.817	3.2.1.4	NA
9	0.060	1ojnA	0.560	3.74	0.050	0.844	4.2.2.1	NA
10	0.060	1sj2A	0.511	4.03	0.049	0.826	1.11.1.6,1.11.1.7	57
11	0.060	2q1fA	0.516	4.11	0.070	0.844	4.2.2.21	54
12	0.060	2a06C	0.502	4.61	0.037	0.861	1.10.2.2	25
13	0.060	1h12A	0.520	4.26	0.058	0.852	3.2.1.8	NA
14	0.060	2vn7A	0.522	3.62	0.061	0.800	3.2.1.3	29
15	0.060	1cb8A	0.542	3.92	0.030	0.826	4.2.2.5	NA
16	0.060	1ayxA	0.507	4.07	0.046	0.826	3.2.1.3	NA
17	0.060	2cqsA	0.545	3.34	0.061	0.809	2.4.1.20	NA
18	0.060	1i8qA	0.513	4.17	0.051	0.835	4.2.2.1	NA
19	0.060	1f1sA	0.514	4.36	0.051	0.852	4.2.2.1	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	0.18	0.480	4.15	0.05	0.79	3icqT	GO:0000049 GO:0003723 GO:0005525 GO:0005634 GO:0005635 GO:0005643 GO:0005737 GO:0005829 GO:0006409 GO:0006605 GO:0006810 GO:0008033 GO:0008536 GO:0015932 GO:0016363 GO:0071528
1	0.07	0.502	4.13	0.01	0.83	3gjxA	GO:0000055 GO:0000056 GO:0000122 GO:0000776 GO:0003723 GO:0005487 GO:0005634 GO:0005642 GO:0005654 GO:0005730 GO:0005737 GO:0006611 GO:0006810 GO:0006886 GO:0008536 GO:0008565 GO:0010824 GO:0015030 GO:0015031 GO:0016020 GO:0019904 GO:0030529 GO:0031965 GO:0034504 GO:0042176 GO:0042493 GO:0043231 GO:0046825 GO:0051028
2	0.07	0.549	3.51	0.08	0.81	3gb8A	GO:0000055 GO:0000056 GO:0000122 GO:0000776 GO:0003723 GO:0005215 GO:0005487 GO:0005634 GO:0005635 GO:0005642 GO:0005654 GO:0005730 GO:0005737 GO:0005829 GO:0006611 GO:0006810 GO:0006886 GO:0007062 GO:0008536 GO:0008565 GO:0010824 GO:0015030 GO:0015031 GO:0016020 GO:0016032 GO:0019904 GO:0030529 GO:0031965 GO:0034504 GO:0042176 GO:0042493 GO:0043231 GO:0043488 GO:0046825 GO:0051028 GO:0075733
3	0.07	0.520	3.72	0.06	0.80	2vn4A
4	0.07	0.541	3.91	0.07	0.85	1gaiA	GO:0000272 GO:0003824 GO:0004339 GO:0005975 GO:0005976 GO:0008152 GO:0016787 GO:0016798 GO:0030246 GO:2001070
5	0.07	0.506	3.97	0.07	0.80	2xqyA	GO:0016020 GO:0016021 GO:0019012 GO:0019031 GO:0019064 GO:0020002 GO:0033644 GO:0039663 GO:0046718 GO:0055036
6	0.07	0.550	3.49	0.07	0.83	1rw9A	GO:0003824 GO:0005576 GO:0005975 GO:0016829 GO:0016837 GO:0030246
7	0.07	0.514	4.36	0.05	0.85	1f1sA	GO:0003824 GO:0005576 GO:0005975 GO:0016829 GO:0016837 GO:0030246 GO:0030340
8	0.07	0.542	3.92	0.03	0.83	1cb8A	GO:0003824 GO:0005576 GO:0005975 GO:0016829 GO:0016837 GO:0030246 GO:0030341 GO:0046872
9	0.07	0.578	3.56	0.06	0.86	1hn0A	GO:0003824 GO:0005576 GO:0005975 GO:0016829 GO:0016837 GO:0030246 GO:0034000 GO:0042597 GO:0046872
10	0.07	0.547	3.92	0.04	0.84	2e22A	GO:0003824 GO:0005509 GO:0005537 GO:0005576 GO:0005615 GO:0005975 GO:0005976 GO:0016829 GO:0016837 GO:0030246 GO:0046872 GO:0047492
11	0.07	0.567	3.65	0.02	0.86	3a6pA	GO:0000049 GO:0003723 GO:0003729 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006611 GO:0006810 GO:0006886 GO:0008536 GO:0008565 GO:0015031 GO:0031047 GO:0035281 GO:0042565 GO:0044822 GO:0070883 GO:0090631 GO:1900370
12	0.07	0.516	4.00	0.07	0.83	5difC	GO:0000055 GO:0000776 GO:0005634 GO:0005737 GO:0005816 GO:0006406 GO:0006611 GO:0006810 GO:0006886 GO:0008536 GO:0008565 GO:0015031 GO:0034501 GO:0048471
13	0.07	0.553	3.80	0.08	0.85	2q1fA	GO:0000287 GO:0003824 GO:0005509 GO:0005576 GO:0005975 GO:0006027 GO:0016829 GO:0016837 GO:0030200 GO:0030209 GO:0030246 GO:0034000 GO:0034001 GO:0042597 GO:0046872 GO:0047488 GO:0052809
14	0.07	0.507	4.07	0.05	0.83	1ayxA	GO:0000272 GO:0003824 GO:0004339 GO:0005975 GO:0005976 GO:0008152 GO:0016787 GO:0016798
15	0.07	0.525	4.40	0.06	0.85	4bsmA	GO:0000055 GO:0000056 GO:0000122 GO:0000776 GO:0003723 GO:0005215 GO:0005487 GO:0005634 GO:0005635 GO:0005642 GO:0005654 GO:0005730 GO:0005737 GO:0005829 GO:0006611 GO:0006810 GO:0006886 GO:0007062 GO:0008536 GO:0008565 GO:0010824 GO:0015030 GO:0015031 GO:0016020 GO:0016032 GO:0019904 GO:0030529 GO:0031965 GO:0034504 GO:0042176 GO:0042493 GO:0043231 GO:0043488 GO:0046825 GO:0051028 GO:0075733
16	0.07	0.512	3.34	0.08	0.73	3wyfC	GO:0000055 GO:0000776 GO:0005634 GO:0005737 GO:0005816 GO:0006406 GO:0006611 GO:0006810 GO:0006886 GO:0008536 GO:0008565 GO:0015031 GO:0034501 GO:0048471
17	0.07	0.482	3.63	0.04	0.76	4q20A	GO:0000155 GO:0000160 GO:0000166 GO:0004673 GO:0005524 GO:0005622 GO:0005886 GO:0007165 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0018106 GO:0023014
18	0.07	0.478	3.51	0.05	0.70	1lf6A	GO:0003824 GO:0004339 GO:0005975 GO:0005976 GO:0008152 GO:0016787 GO:0016798 GO:0030246

Consensus prediction of GO terms

Molecular Function	GO:0003676	GO:0017016	GO:0032550	GO:0035639	GO:0022891	GO:0032561
GO-Score	0.58	0.58	0.36	0.36	0.36	0.36
Biological Processes	GO:0006886	GO:0034470	GO:0006409	GO:0006399
GO-Score	0.36	0.36	0.36	0.36
Cellular Component	GO:0031967	GO:0012505	GO:0044444	GO:0034399
GO-Score	0.48	0.48	0.48	0.36

(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 Rv1805c

[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]