I-TASSER results

Input Sequence in FASTA format

>protein (145 residues)
MTKRTITPMTSMGDLLGPEPILLPGDSDAEAELLANESPSIVAAAHPSASVAWAVLAEGA
LADDKTVTAYAYARTGYHRGLDQLRRHGWKGFGPVPYSHQPNRGFLRCVAALARAAAAIG
ETDEYGRCLDLLDDCDPAARPALGL

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| MTKRTITPMTSMGDLLGPEPILLPGDSDAEAELLANESPSIVAAAHPSASVAWAVLAEGALADDKTVTAYAYARTGYHRGLDQLRRHGWKGFGPVPYSHQPNRGFLRCVAALARAAAAIGETDEYGRCLDLLDDCDPAARPALGL
Prediction	CCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHCCCHHHHHHHCCCCHHHHHHHHHHHHHHCCCEEEEEEHCCCHHHHHHHHHHHCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHCCHHHHHHHCC
Conf.Score	9988778876556777899878999967999998799999999978988799999999999849856666654345567699999989988799998778885599999999999999888789999999999869899998789
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| MTKRTITPMTSMGDLLGPEPILLPGDSDAEAELLANESPSIVAAAHPSASVAWAVLAEGALADDKTVTAYAYARTGYHRGLDQLRRHGWKGFGPVPYSHQPNRGFLRCVAALARAAAAIGETDEYGRCLDLLDDCDPAARPALGL
Prediction	8655444414435413425234037466245424746504510442263220003104411666541312220421343115303634052412132634343100200210040064145663263035106503550374267
	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

CCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHCCCHHHHHHHCCCCHHHHHHHHHHHHHHCCCEEEEEEHCCCHHHHHHHHHHHCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHCCHHHHHHHCC
MTKRTITPMTSMGDLLGPEPILLPGDSDAEAELLANESPSIVAAAHPSASVAWAVLAEGALADDKTVTAYAYARTGYHRGLDQLRRHGWKGFGPVPYSHQPNRGFLRCVAALARAAAAIGETDEYGRCLDLLDDCDPAARPALGL

4otkA2

0.23

0.18

0.78

0.83

MUSTER

---------------------------IELHPLLNQDELRKANAQHTVVTQSYCPLALGRLLDNPTVTSIA-SEYVKTPAQVLLRWNLQLGNAVVVRSARPERIASNFVFDFELAAEHMDALGGLNDGTRV--REDPLTYA--GT

3cvnA1

0.15

0.12

0.78

0.66

dPPAS

YPFEANNPYMYHENPM----------EEGLSMLKLANAFEAVCQAAPEREEAWRSLGLTQAENEK-----------DGLAIIALNHA---------RMLDPKD--IAVHAALAVSHTNEHNANAALASLRAWLLSQPQYEQLGSV

3cvnA1

0.17

0.13

0.76

0.68

wdPPAS

-TDEANNPYMYHENPM-----------EGLSMLKLANAFEAVCQAAPEREEAWRSLGLTQAENEK-----------DGLAIIALNHA----------MLDPKD--IAVHAALAVSHTNEHNANAALASLRAWLLSQPEQLGSVNL

4ynvA

0.17

0.15

0.88

0.75

wMUSTER

LSRGVEAAIADKRRRLAE--TDLSWEDDAEQRCEA---LITEATIAPEWPETWQTVANVRISQERTEEAREA----LRRSLGL-----WTHLPP----EDPGVPPFPSRVSLVRLLIEVDEEEALEVTERLIAEDSVEVWYLGGY

3cvnA1

0.18

0.13

0.74

0.69

wPPAS

-TD-ANNPYMYHENPM-----------EGLSMLKLA-NLAEAALAFPEREEAWRSLGLTQAENEK-----------DGLAIIALNHA----------MLDPK--DIAVHAALAVSHTNEHNANAALASLRAWLLSQPEQLGSVNL

3cvnA1

0.16

0.12

0.77

0.95

dPPAS2

-TDEANNPYMYHENPM----------EEGLSMLKLANAFEAVCQAAPEREEAWRSLGLTQAENEK-----------DGLAIIALNHA---------RMLDPK--DIAVHAALAVSHTNEHNANAALASLRAWLLSQPQYEQLGSV

3cvnA1

0.17

0.13

0.75

0.73

PPAS

-TDEANNPYMYHENPM-----------EGLSMLKLA-NLAEAALAFPEREEAWRSLGLTQAENEK-----------DGLAIIALNHA----------MLDPK--DIAVHAALAVSHTNEHNANAALASLRAWLLSQPEQLGSVNL

3cvnA1

0.17

0.14

0.79

0.66

Env-PPAS

FEAN--NPYMYHENPMG---LSMLKLANLAEAALA---FEAVCQAAPEREEAWRSLGLTQAENEK-----------DGLAIIALNHA---------RMLDPK--DIAVHAALAVSHTNEHNANAALASLRAWLLSQPEQLGSVNL

3h7rA2

0.14

0.11

0.80

0.76

MUSTER

---------IRFFELN--TGAKLPCVGVECHPVWQQQGLHELCKSKGVHLSGYSPLGRLKVLQNPIVTEVA-EKLGKTTAQVALRWGLQTGHSVLPKSSSGARLKENLVFDWSIPEDLFTKFSNIPQC-----------------

4tshA

0.12

0.10

0.83

0.59

dPPAS

VGTQTGNPATNL-------PEAQGSASKEAEQSQNQAGETNGSIPVEVPKTDLDQAAKDAKSAGVNVV-----------------QDADVNKGTVKTAEEAVQKETEIKEDYTKQAEDIKKTTDQYKSDVAAHEAEVAKIKAKNQ

(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=-1.84

Estimated TM-score = 0.49±0.15

Estimated RMSD = 8.7±4.5Å

Download Model 2

C-score=-4.80

Download Model 3

C-score=-3.72

Download Model 4

C-score=-2.85

Download Model 5

C-score=-4.32

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	1ulvA	0.645	3.62	0.109	0.897
2	3c68A2	0.636	3.67	0.127	0.876
3	2rdyA	0.636	4.06	0.101	0.917
4	4d10C	0.635	3.31	0.069	0.841
5	4l7tA	0.635	3.79	0.065	0.910
6	5fjsA	0.630	3.84	0.073	0.910
7	3ihvA	0.627	3.94	0.096	0.910
8	4xhcA	0.624	4.12	0.109	0.910
9	3icqT	0.623	3.39	0.074	0.890
10	3kezB	0.623	3.87	0.124	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	0.09	3	1fp4B	CA	Rep, Mult	130,134
2	0.06	2	2bptA	III	Rep, Mult	78,81,82,85,86,124,127
3	0.06	2	1fchA	III	Rep, Mult	78,79,81,82,121,124
4	0.06	2	1fchB	III	Rep, Mult	26,54,55,58,60,107,110,111,114
5	0.03	1	4decA	MN	Rep, Mult	14,99
6	0.03	1	3p1qA	FSC	Rep, Mult	54,57,58,103,104
7	0.03	1	3b04D	MG	Rep, Mult	99,102
8	0.03	1	3lcmC	NAP	Rep, Mult	70,72
9	0.03	1	5jreD	ADE	Rep, Mult	61,114
10	0.03	1	4ecgA	CA	Rep, Mult	123,134
11	0.03	1	1tkoA	FE	Rep, Mult	53,78

	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	0.110	1tjcA	0.468	2.38	0.146	0.566	1.14.11.2	56,77
2	0.066	1klxA	0.516	3.67	0.049	0.752	3.5.2.6	NA
3	0.060	2cqsA	0.611	3.84	0.121	0.876	2.4.1.20	NA
4	0.060	1ihgA	0.574	3.85	0.103	0.793	5.2.1.8	NA
5	0.060	1clcA	0.569	4.22	0.080	0.876	3.2.1.4	NA
6	0.060	1f1sA	0.574	3.74	0.049	0.821	4.2.2.1	NA
7	0.060	2c0lA	0.553	3.49	0.102	0.759	2.3.1.176	56,62,86
8	0.060	1gaiA	0.590	4.13	0.078	0.917	3.2.1.3	NA
9	0.060	1fo2A	0.556	3.97	0.052	0.841	3.2.1.113	NA
10	0.060	1lf6A	0.617	3.72	0.081	0.876	3.2.1.3	NA
11	0.060	1nxcA	0.561	4.22	0.093	0.862	3.2.1.113	NA
12	0.060	1g87B	0.593	4.13	0.094	0.903	3.2.1.4	NA
13	0.060	1r76A	0.586	4.66	0.102	0.931	4.2.2.2	107
14	0.060	1ut9A	0.561	4.08	0.090	0.848	3.2.1.4	NA
15	0.060	3evhA	0.551	4.42	0.074	0.862	4.2.2.3	NA
16	0.060	1fmiA	0.556	4.06	0.052	0.841	3.2.1.113	NA
17	0.060	2f6dA	0.616	4.18	0.063	0.931	3.2.1.3	112
18	0.060	1w3bA	0.556	3.54	0.093	0.759	2.4.1.-	NA
19	0.060	2qnoA	0.557	4.15	0.097	0.841	3.2.1.4	NA
20	0.060	1ia7A	0.603	4.29	0.056	0.917	3.2.1.4	NA
21	0.060	1h12A	0.571	4.37	0.058	0.869	3.2.1.8	84

(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	0.571	3.19	0.11	0.74	2vyiA	GO:0005737 GO:0005829 GO:0016020 GO:0016032 GO:1903071 GO:1904288
1	0.12	0.335	4.80	0.06	0.59	2e9xC	GO:0005634 GO:0005654 GO:0006260 GO:0006271
2	0.07	0.605	3.82	0.12	0.88	1ug9A	GO:0003824 GO:0004339 GO:0004553 GO:0005975 GO:0005976 GO:0016052 GO:0030246 GO:0046872
3	0.07	0.572	4.27	0.06	0.91	4j5tA	GO:0003824 GO:0004573 GO:0005783 GO:0005789 GO:0006487 GO:0008152 GO:0009272 GO:0009311 GO:0016020 GO:0016021 GO:0016787 GO:0016798 GO:0070880
4	0.07	0.621	3.73	0.12	0.88	3w7sA	GO:0003824 GO:0004555 GO:0005991 GO:0005993 GO:0006974 GO:0008152 GO:0015926 GO:0016787 GO:0016798 GO:0046872
5	0.07	0.617	3.72	0.08	0.88	1lf6A	GO:0003824 GO:0004339 GO:0005975 GO:0005976 GO:0008152 GO:0016787 GO:0016798 GO:0030246
6	0.07	0.547	3.08	0.13	0.72	2fo7A
7	0.07	0.641	4.11	0.10	0.94	2rdyA	GO:0003824 GO:0004560
8	0.07	0.522	3.79	0.07	0.76	1qqfA	GO:0001934 GO:0002376 GO:0002507 GO:0004866 GO:0005576 GO:0005615 GO:0006629 GO:0006631 GO:0006935 GO:0006954 GO:0006956 GO:0006957 GO:0006958 GO:0007596 GO:0008289 GO:0010828 GO:0010866 GO:0010884 GO:0010951 GO:0031715 GO:0032026 GO:0032355 GO:0032570 GO:0043627 GO:0045087 GO:0045745 GO:0048037 GO:0048639 GO:0051384 GO:0070374
9	0.07	0.510	4.47	0.07	0.83	3rruA	GO:0005622 GO:0005737 GO:0005764 GO:0005768 GO:0005794 GO:0005795 GO:0005829 GO:0006810 GO:0006886 GO:0007165 GO:0010008 GO:0015031 GO:0016020 GO:0017124 GO:0019901 GO:0030276 GO:0030295 GO:0031954 GO:0032147 GO:0043130 GO:0043162 GO:0045839 GO:0070062 GO:2000278
10	0.07	0.491	4.31	0.06	0.77	4wvbB	GO:0003824 GO:0004555 GO:0004573 GO:0005991 GO:0009311
11	0.07	0.560	3.84	0.06	0.82	2a73B	GO:0001798 GO:0001934 GO:0001970 GO:0002376 GO:0002507 GO:0004252 GO:0004866 GO:0005102 GO:0005576 GO:0005615 GO:0005886 GO:0006508 GO:0006629 GO:0006631 GO:0006954 GO:0006955 GO:0006956 GO:0006957 GO:0006958 GO:0007165 GO:0007186 GO:0007596 GO:0008289 GO:0010575 GO:0010828 GO:0010866 GO:0010884 GO:0010951 GO:0030449 GO:0031715 GO:0032026 GO:0032355 GO:0032570 GO:0043627 GO:0045087 GO:0045745 GO:0045766 GO:0048037 GO:0048639 GO:0050766 GO:0050776 GO:0051384 GO:0070062 GO:0070374 GO:0072562 GO:2000427
12	0.07	0.503	4.31	0.07	0.79	4wvbA	GO:0003824 GO:0004555 GO:0004573 GO:0005991 GO:0009311
13	0.07	0.530	4.09	0.05	0.84	5dseB	GO:0004871 GO:0005737 GO:0005829 GO:0005886 GO:0007165 GO:0016020 GO:0042552 GO:0046854 GO:0090002
14	0.07	0.516	4.17	0.04	0.80	4ufcB	GO:0003824 GO:0004560
15	0.07	0.536	3.94	0.08	0.80	2eabA	GO:0003824 GO:0016020 GO:0016021 GO:0046872
16	0.07	0.419	4.82	0.04	0.72	2rdxA	GO:0003824 GO:0008152 GO:0046872
17	0.06	0.392	5.55	0.04	0.73	3p3aA	GO:0004792 GO:0016740
18	0.06	0.392	4.72	0.07	0.64	4nbrA	GO:0016491 GO:0055114
19	0.06	0.375	4.70	0.07	0.61	4z32H	GO:0000165 GO:0000166 GO:0000186 GO:0002250 GO:0002376 GO:0004672 GO:0004713 GO:0004715 GO:0005088 GO:0005102 GO:0005131 GO:0005143 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0005856 GO:0005901 GO:0006468 GO:0006915 GO:0006919 GO:0006928 GO:0006979 GO:0007165 GO:0007167 GO:0007186 GO:0007204 GO:0007259 GO:0007260 GO:0007262 GO:0007498 GO:0007596 GO:0008022 GO:0008284 GO:0008285 GO:0008631 GO:0009755 GO:0010667 GO:0010811 GO:0012505 GO:0014068 GO:0016020 GO:0016301 GO:0016310 GO:0016363 GO:0016477 GO:0016568 GO:0016740 GO:0018108 GO:0019221 GO:0019901 GO:0020037 GO:0022408 GO:0030041 GO:0030154 GO:0030218 GO:0030335 GO:0031103 GO:0031234 GO:0031702 GO:0031904 GO:0031959 GO:0032024 GO:0032496 GO:0032516 GO:0032731 GO:0032760 GO:0033130 GO:0033160 GO:0033194 GO:0033209 GO:0034612 GO:0035401 GO:0035409 GO:0035556 GO:0035722 GO:0038083 GO:0042127 GO:0042169 GO:0042393 GO:0042503 GO:0042506 GO:0042508 GO:0042517 GO:0042523 GO:0042977 GO:0042981 GO:0043065 GO:0043388 GO:0043392 GO:0043524 GO:0043547 GO:0043548 GO:0043560 GO:0045087 GO:0045121 GO:0045429 GO:0045597 GO:0045822 GO:0046677 GO:0046777 GO:0046872 GO:0048008 GO:0050727 GO:0050729 GO:0050731 GO:0050867 GO:0051091 GO:0051428 GO:0051770 GO:0060333 GO:0060334 GO:0060396 GO:0060397 GO:0060399 GO:0061180 GO:0070671 GO:0097191 GO:0097296
20	0.06	0.355	5.12	0.07	0.66	2ek8A	GO:0004177 GO:0006508 GO:0046872

Consensus prediction of GO terms

Molecular Function	GO:0032403
GO-Score	0.35
Biological Processes	GO:0044403	GO:1903069	GO:0032436	GO:0044764	GO:1904294
GO-Score	0.35	0.35	0.35	0.35	0.35
Cellular Component	GO:0044444
GO-Score	0.35

(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 Rv0360c

[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]