I-TASSER results

Input Sequence in FASTA format

>protein (141 residues)
MQQTAWAPRTSGIAGCGAGGVVMAIASVTLVTDTPGRVLTGVAALGLILFASATWRARPR
LAITPDGLAIRGWFRTQLLRHSNIKIIRIDEFRRYGRLVRLLEIETVSGGLLILSRWDLG
TDPVEVLDALTAAGYAGRGQR

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| MQQTAWAPRTSGIAGCGAGGVVMAIASVTLVTDTPGRVLTGVAALGLILFASATWRARPRLAITPDGLAIRGWFRTQLLRHSNIKIIRIDEFRRYGRLVRLLEIETVSGGLLILSRWDLGTDPVEVLDALTAAGYAGRGQR
Prediction	CCCCCCCCCCHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHCCCEEEEHCCCEEEEHCCEEEHCCHHHEEEEEHCCCCCCCCCCCCEEEEHCCCCEEEEEEHCCCCCHHHHHHHHHHHCCCCCCCC
Conf.Score	987766677479999999999999999985378986677899999999999999745774898589889985665577687557888886766555556657898679968998744458996999999999888888999
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| MQQTAWAPRTSGIAGCGAGGVVMAIASVTLVTDTPGRVLTGVAALGLILFASATWRARPRLAITPDGLAIRGWFRTQLLRHSNIKIIRIDEFRRYGRLVRLLEIETVSGGLLILSRWDLGTDPVEVLDALTAAGYAGRGQR
Prediction	755343334332021111111111211111343332200002223212311333133313031465202011133444133740441314524434352430302237540100011203440450152045242537688
	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

CCCCCCCCCCHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHCCCEEEEHCCCEEEEHCCEEEHCCHHHEEEEEHCCCCCCCCCCCCEEEEHCCCCEEEEEEHCCCCCHHHHHHHHHHHCCCCCCCC
MQQTAWAPRTSGIAGCGAGGVVMAIASVTLVTDTPGRVLTGVAALGLILFASATWRARPRLAITPDGLAIRGWFRTQLLRHSNIKIIRIDEFRRYGRLVRLLEIETVSGGLLILSRWDLGTDPVEVLDALTAAGYAGRGQR

1ufoA

0.15

0.14

0.94

0.69

MUSTER

SSKSPRYVEEVYRVALGFKEEARRVAEEAERRFGLPLFLAGGSLGAFVAHLLLAEGFRPRGVLAFIGSGFPKLPQGQVVEDPGVLALYATRGEAYGG-VPLLHLHGSRDHIV-------PLAREKTLEALRPHYPEGRLAR

5da0A2

0.13

0.11

0.83

0.74

dPPAS

------------FPKGETVVMLATVAVTVFTHDLSLGVLIGVVLSALFFARKVSQLSQVTPVDEVDGTRTYRVRGQLFFVSTH----DFLHQFDFTHPARRVVIDLSDAHFW-------DGSAVGALDKVMLK-FMRQGTS

5da0A2

0.12

0.10

0.79

0.94

wdPPAS

------------FPKGETVVMLATVAVTVFTHDLSLGVLIGVVLSALFFARKVSQLSQVTPVDEVDGTRTYRVRGQLFFVSTH----DFLHQFDFTHPARRVVIDLSDAHFW---------D-GSAVGALDKV---MLKFM

1ufoA

0.15

0.14

0.94

0.70

wMUSTER

SSKSPRYVEEVYRVALGFKEEARRVAEEAERRFGLPLFLAGGSLGAFVAHLLLAEGFRPRGVLAFIGSGFPKLPQGQVVEDPGVLALYATRGEAYG-GVPLLHLHGSRDHIV-------PLAREKTLEALRPHYPEGRLAR

2vpyC2

0.17

0.12

0.72

wPPAS

LNRPLWNG--LMAGLFPLTALVLALGLAALLKSPWAFPLRVLAGASLLLALLYPLTLPPEARLEEAGLGLGTFWQERLAPWAGLLAAA-------GLRA--L--------LVLAGQWQ-GL--------------------

2mpnA

0.12

0.05

0.40

1.02

dPPAS2

-KSQPLP--LMRQVQIAAGGLILIGVVLGYTVNSGFFLLSGFVGAGLLFAGISGFSGQRA---------------------------------------------------------------------------------

5da0A2

0.12

0.09

0.78

0.74

PPAS

------------FPKGETVVMLATVAVTVFTHDLSLGVLIGVVLSALFFARKVSQLSQVTPVDEVDGTRTYRVRGQLFFVSTH----DFLHQFDFTHPARRVVIDL-GTSVELRG---LNAASATLVERL-----------

3c8cA2

0.10

0.09

0.82

0.72

Env-PPAS

----SLRS--------VSDSVDEIVDGVSK------TTAEVINGRKSSLAELAELVNE--VKLFDAGVFIVSEDGTTIAPKKEFNGKPSEFLGESKINVDTHQVIINGKPYAVSFSDVEGEDEEIAYAALDELRRS-----

5ezmA

0.20

0.19

0.96

0.66

MUSTER

LSPRSWGKQLIGMAIVAACGLLASPVVATLNANHIPVAVAFVVMLLGIAVARLLLRRGVLPSVAVYAMGMYLGFTVALLGHETV--GRPASGADIAPQIA--QKLTPEMPLYGVQMLDLRHPLMMVADELTFG-ATVEPQR

2l35A

0.14

0.06

0.42

0.60

dPPAS

CSTVSPGVLAGIVVGDLVLTVLIALAVYFLTAEVLGIISIVLVATVLKTIVLIPFLEQN----------------------------------------------------------------------------------

(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=-4.02

Estimated TM-score = 0.28±0.09

Estimated RMSD = 14.1±3.8Å

Download Model 2

C-score=-4.06

Download Model 3

C-score=-3.93

Download Model 4

C-score=-3.67

Download Model 5

C-score=-4.79

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	1z98A	0.493	4.94	0.071	0.837
2	3d9sA	0.491	4.38	0.080	0.773
3	3rkoM	0.490	3.94	0.071	0.709
4	4nefA	0.487	4.57	0.057	0.780
5	4he8M	0.485	4.16	0.039	0.723
6	2csbA	0.484	4.34	0.033	0.766
7	5b16A	0.482	4.71	0.052	0.801
8	5a22A	0.482	4.21	0.036	0.745
9	1xmeA	0.480	4.70	0.046	0.794
10	1j4nA	0.480	4.62	0.045	0.766

(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	5d5aA	CLR	Rep, Mult	25,48,53
2	0.06	3	5hxcA	MYC	Rep, Mult	42,46,102
3	0.06	3	1s5lT	CLA	Rep, Mult	47,50
4	0.04	2	2i37A	UUU	Rep, Mult	44,47,48,80,81
5	0.04	2	3fozB	CA	Rep, Mult	54,58
6	0.04	2	3luhB	5GP	Rep, Mult	93,97
7	0.04	2	3la2A	AKG	Rep, Mult	48,49,52
8	0.02	1	3uufA	MAN	Rep, Mult	32,33
9	0.02	1	3oduB	OLC	Rep, Mult	16,23,24,27
10	0.02	1	2b6oA	MC3	Rep, Mult	47,51,54,130,131,133
11	0.02	1	2o9dA	HSH	Rep, Mult	41,42,45,46,49
12	0.02	1	1vd5A	GLY	Rep, Mult	25,42
13	0.02	1	2jfrA	MG	Rep, Mult	97,118
14	0.02	1	3jz0A	APC	Rep, Mult	60,71
15	0.02	1	1isvA	XYP	Rep, Mult	6,7
16	0.02	1	2g4lA	SO4	Rep, Mult	64,66,67

	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	1xmeA	0.480	4.70	0.046	0.794	1.9.3.1	NA
2	0.060	3hhsB	0.451	5.21	0.040	0.830	1.14.18.1	NA
3	0.060	3i39X	0.453	4.58	0.080	0.745	1.2.99.2	26,38,119
4	0.060	3ihyC	0.434	4.80	0.053	0.738	2.7.1.137	47,113
5	0.060	2eabA	0.435	4.62	0.060	0.723	3.2.1.63	NA
6	0.060	1mhsA	0.440	4.34	0.044	0.709	3.6.3.6	NA
7	0.060	1sznA	0.428	4.90	0.053	0.787	3.2.1.22	NA
8	0.060	2x6fA	0.441	4.69	0.053	0.723	2.7.1.137,2.7.1.153,2.7.1.154	70
9	0.060	1jtnA	0.326	5.17	0.042	0.603	3.2.1.17	33
10	0.060	2a06C	0.429	5.04	0.092	0.752	1.10.2.2	43
11	0.060	1m21A	0.439	4.95	0.086	0.766	3.5.1.-	NA
12	0.060	2x38A	0.444	4.46	0.064	0.759	2.7.1.153	96
13	0.060	1e6yE	0.431	4.57	0.069	0.709	2.8.4.1	NA
14	0.060	1vb3A	0.434	4.67	0.070	0.738	4.2.3.1	NA
15	0.060	2j5nB	0.425	5.22	0.065	0.801	1.5.1.12	NA
16	0.060	3degC	0.426	5.23	0.038	0.766	3.6.5.1	90
17	0.060	3dvaA	0.431	4.80	0.092	0.731	1.2.4.1	116
18	0.060	1fnoA	0.422	5.01	0.018	0.773	3.4.11.4	41,44
19	0.060	2vlcA	0.441	5.52	0.060	0.858	3.2.2.22	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	0.07	0.477	5.20	0.06	0.86	2evuA	GO:0005215 GO:0005886 GO:0006810 GO:0016020 GO:0016021
1	0.07	0.474	5.21	0.11	0.86	3ne2C	GO:0005215 GO:0005886 GO:0006810 GO:0016020 GO:0016021
2	0.07	0.468	5.04	0.05	0.84	5i32A	GO:0000326 GO:0005215 GO:0005618 GO:0005773 GO:0005774 GO:0005794 GO:0005886 GO:0005887 GO:0006810 GO:0006833 GO:0009505 GO:0009506 GO:0009507 GO:0009705 GO:0009941 GO:0009992 GO:0015200 GO:0015250 GO:0015254 GO:0015793 GO:0016020 GO:0016021 GO:0042807 GO:0072489
3	0.07	0.491	4.41	0.10	0.78	5dyeD	GO:0005215 GO:0005783 GO:0005886 GO:0005887 GO:0005902 GO:0006810 GO:0006833 GO:0007588 GO:0009925 GO:0009992 GO:0015250 GO:0015254 GO:0015670 GO:0015793 GO:0016020 GO:0016021 GO:0016324 GO:0030157 GO:0034220 GO:0042476 GO:0046541 GO:0048593 GO:0070062
4	0.07	0.477	4.54	0.07	0.77	3nk5B	GO:0005215 GO:0005886 GO:0005887 GO:0006810 GO:0006833 GO:0006970 GO:0009992 GO:0015250 GO:0015254 GO:0015793 GO:0016020 GO:0016021 GO:0034220 GO:0042802 GO:0055085
5	0.07	0.472	4.46	0.07	0.78	3c02A	GO:0005215 GO:0006810 GO:0016020 GO:0016021
6	0.07	0.477	4.41	0.04	0.75	2d57A	GO:0005215 GO:0005887 GO:0006810 GO:0006833 GO:0007565 GO:0009314 GO:0009925 GO:0009992 GO:0010574 GO:0015250 GO:0015254 GO:0015288 GO:0015670 GO:0015793 GO:0016020 GO:0016021 GO:0016323 GO:0030315 GO:0031253 GO:0032691 GO:0032715 GO:0034220 GO:0042383 GO:0042538 GO:0043234 GO:0051260 GO:0051384 GO:0060354 GO:0071333 GO:0071347 GO:0071354 GO:0071392
7	0.07	0.459	5.10	0.10	0.83	1fx8A	GO:0005215 GO:0005372 GO:0005886 GO:0005887 GO:0006810 GO:0006833 GO:0009992 GO:0015168 GO:0015250 GO:0015254 GO:0015793 GO:0016020 GO:0016021 GO:0034220 GO:0046872 GO:0071288
8	0.07	0.480	5.05	0.07	0.84	2b6pA	GO:0002088 GO:0005212 GO:0005215 GO:0005243 GO:0005516 GO:0005783 GO:0005886 GO:0005887 GO:0005921 GO:0006810 GO:0006833 GO:0007601 GO:0009992 GO:0015250 GO:0015254 GO:0015793 GO:0016020 GO:0016021 GO:0016324 GO:0030054 GO:0034220 GO:0045785 GO:0051289 GO:1990349
9	0.07	0.477	4.56	0.07	0.77	3llqB	GO:0005215 GO:0005886 GO:0006810 GO:0006833 GO:0015250 GO:0016020 GO:0016021 GO:0055085
10	0.07	0.470	4.74	0.05	0.79	4oj2X	GO:0003091 GO:0003097 GO:0005215 GO:0005372 GO:0005794 GO:0005886 GO:0005887 GO:0006810 GO:0006833 GO:0007588 GO:0009992 GO:0015168 GO:0015250 GO:0015254 GO:0015793 GO:0016020 GO:0016021 GO:0016323 GO:0016324 GO:0030658 GO:0030659 GO:0031410 GO:0034220 GO:0042631 GO:0055037 GO:0070062 GO:0071280 GO:0071288 GO:0072205
11	0.07	0.494	5.02	0.08	0.84	4jc6A	GO:0005215 GO:0006810 GO:0016020 GO:0016021
12	0.07	0.470	4.08	0.06	0.71	4he8F	GO:0005886 GO:0008137 GO:0016020 GO:0016021 GO:0016491 GO:0042773 GO:0048038 GO:0055114
13	0.07	0.480	4.62	0.04	0.77	1j4nA	GO:0003094 GO:0003097 GO:0005215 GO:0005223 GO:0005267 GO:0005372 GO:0005634 GO:0005886 GO:0005887 GO:0005903 GO:0006182 GO:0006810 GO:0006813 GO:0006833 GO:0006884 GO:0008519 GO:0009925 GO:0009992 GO:0015079 GO:0015168 GO:0015250 GO:0015254 GO:0015670 GO:0015696 GO:0015793 GO:0016020 GO:0016021 GO:0016323 GO:0016324 GO:0019233 GO:0019725 GO:0020003 GO:0021670 GO:0022857 GO:0030104 GO:0030184 GO:0030185 GO:0030335 GO:0030424 GO:0030950 GO:0031526 GO:0031965 GO:0032127 GO:0032940 GO:0033363 GO:0033554 GO:0034644 GO:0035377 GO:0035378 GO:0035379 GO:0042060 GO:0042383 GO:0042493 GO:0043066 GO:0044241 GO:0045177 GO:0045766 GO:0046875 GO:0046878 GO:0048146 GO:0048593 GO:0051458 GO:0070062 GO:0070295 GO:0070301 GO:0071241 GO:0071260 GO:0071280 GO:0071288 GO:0071300 GO:0071320 GO:0071456 GO:0071472 GO:0071474 GO:0071549 GO:0071805 GO:0072220 GO:0072230 GO:0072232 GO:0072239 GO:0072488 GO:0085018
14	0.07	0.481	5.16	0.07	0.86	2w1pA	GO:0005215 GO:0006810 GO:0016020 GO:0016021
15	0.06	0.467	3.85	0.07	0.69	4he8I	GO:0005886 GO:0006810 GO:0008137 GO:0016020 GO:0016021 GO:0016491 GO:0042773 GO:0048038 GO:0050136 GO:0055114
16	0.06	0.485	4.16	0.04	0.72	4he8G	GO:0005886 GO:0008137 GO:0016020 GO:0016021 GO:0016491 GO:0042773 GO:0048038 GO:0055114
17	0.06	0.346	5.19	0.07	0.62	3ktyB	GO:0001510 GO:0003723 GO:0006396 GO:0008168 GO:0008173 GO:0016740 GO:0032259
18	0.06	0.323	5.08	0.07	0.57	3swxB	GO:0003824 GO:0008152 GO:0016853

Consensus prediction of GO terms

Molecular Function	GO:0015168	GO:0005372	GO:0022838
GO-Score	0.37	0.37	0.37
Biological Processes	GO:0008643	GO:0006884	GO:0042044	GO:0030104	GO:0055082	GO:0015791
GO-Score	0.37	0.37	0.37	0.37	0.37	0.37
Cellular Component	GO:0031226
GO-Score	0.37

(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 Rv0010c

[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]