I-TASSER results

Input Sequence in FASTA format

>protein (143 residues)
MRVLVQRVSSAAVRVDGRVVGAIRPDGQGLVAFVGVTHGDDLDKARRLAEKLWNLRVLAD
EKSASDMHAPILVISQFTLYADTAKGRRPSWNAAAPGAVAQPLIAAFAAALRQLGAHVEA
GVFGAHMQVELVNDGPVTVMLEG

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| MRVLVQRVSSAAVRVDGRVVGAIRPDGQGLVAFVGVTHGDDLDKARRLAEKLWNLRVLADEKSASDMHAPILVISQFTLYADTAKGRRPSWNAAAPGAVAQPLIAAFAAALRQLGAHVEAGVFGAHMQVELVNDGPVTVMLEG
Prediction	CEEEEEHCCEEEEEHCCEEEEEHCCCCCEEEEEEHCCCCCCHHHHHHHHHHHHHCCCCCCCCCCCCCCCCEEEEHCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHCCCEHCCCCCCCEEEEEEHCCCEEEEEHC
Conf.Score	98999986868999999999987578987999997689999999999999999745667888987899877999745566557889998855568989999999999999999899765665467678999978976999989
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 \| \| \| \| \| \| \| MRVLVQRVSSAAVRVDGRVVGAIRPDGQGLVAFVGVTHGDDLDKARRLAEKLWNLRVLADEKSASDMHAPILVISQFTLYADTAKGRRPSWNAAAPGAVAQPLIAAFAAALRQLGAHVEAGVFGAHMQVELVNDGPVTVMLEG
Prediction	63000010450404056622140364220000000015543462043005200502013375314426141000011002133454442413642547304500430052047444413354134404031304131103126
	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

CEEEEEHCCEEEEEHCCEEEEEHCCCCCEEEEEEHCCCCCCHHHHHHHHHHHHHCCCCCCCCCCCCCCCCEEEEHCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHCCCEHCCCCCCCEEEEEEHCCCEEEEEHC
MRVLVQRVSSAAVRVDGRVVGAIRPDGQGLVAFVGVTHGDDLDKARRLAEKLWNLRVLADEKSASDMHAPILVISQFTLYADTAKGRRPSWNAAAPGAVAQPLIAAFAAALRQLGAHVEAGVFGAHMQVELVNDGPVTVMLEG

2dboA

0.44

0.43

0.98

3.72

MUSTER

MRAVIQRVKKSWVEVDGKVVGSI---NEGLNVFLGVRKGDTEEDIEKLVNKILNLRIFEDERGVLDIKGEILVVSQFTLYANVKKGRRPSFEEAEEPKRAKELYEKFVDKIKESGLKVETGIFGAMMDVFIENWGPVTIIIDS

1jkeA

0.44

0.43

0.98

6.40

dPPAS

MIALIQRVTRASVTVEGEVTGEI---GAGLLVLLGVEKDDDEQKANRLCERVLGYRIFSDAEGKMQAGGSVLVVSQFTLAADTERGMRPSFSKGASPDRAEALYDYFVERCRQQEMNTQTGRFAADMQVSLVNDGPVTFWLQV

1jkeA

0.44

0.43

0.98

5.97

wdPPAS

MIALIQRVTRASVTVEGEVTGEI---GAGLLVLLGVEKDDDEQKANRLCERVLGYRIFSDAEGKMQAGGSVLVVSQFTLAADTERGMRPSFSKGASPDRAEALYDYFVERCRQQEMNTQTGRFAADMQVSLVNDGPVTFWLQV

2dboA

0.44

0.43

0.97

4.27

wMUSTER

-RAVIQRVKKSWVEVDGKVVGSI---NEGLNVFLGVRKGDTEEDIEKLVNKILNLRIFEDERGKFDIKGEILVVSQFTLYANVKKGRRPSFEEAEEPKRAKELYEKFVDKIKESGLKVETGIFGAMMDVFIENWGPVTIIIDS

1jkeA

0.44

0.43

0.98

5.37

wPPAS

MIALIQRVTRASVTVEGEVTGEI---GAGLLVLLGVEKDDDEQKANRLCERVLGYRIFSDAEGKMQAGGSVLVVSQFTLAADTERGMRPSFSKGASPDRAEALYDYFVERCRQQEMNTQTGRFAADMQVSLVNDGPVTFWLQV

1jkeA

0.44

0.43

0.98

9.96

dPPAS2

MIALIQRVTRASVTVEGEVTGEI---GAGLLVLLGVEKDDDEQKANRLCERVLGYRIFSDAEGKMQAGGSVLVVSQFTLAADTERGMRPSFSKGASPDRAEALYDYFVERCRQQEMNTQTGRFAADMQVSLVNDGPVTFWLQV

1jkeA

0.44

0.43

0.98

5.41

PPAS

MIALIQRVTRASVTVEGEVTGEI---GAGLLVLLGVEKDDDEQKANRLCERVLGYRIFSDAEGKMQAGGSVLVVSQFTLAADTERGMRPSFSKGASPDRAEALYDYFVERCRQQEMNTQTGRFAADMQVSLVNDGPVTFWLQV

1jkeA

0.44

0.43

0.98

6.04

Env-PPAS

MIALIQRVTRASVTVEGEVTGEI---GAGLLVLLGVEKDDDEQKANRLCERVLGYRIFSDAEGKMQAGGSVLVVSQFTLAADTERGMRPSFSKGASPDRAEALYDYFVERCRQQEMNTQTGRFAADMQVSLVNDGPVTFWLQV

1jkeA

0.44

0.43

0.98

3.67

MUSTER

MIALIQRVTRASVTVEGEVTGEI---GAGLLVLLGVEKDDDEQKANRLCERVLGYRIFSDAEGKMQAGGSVLVVSQFTLAADTERGMRPSFSKGASPDRAEALYDYFVERCRQQEMNTQTGRFAADMQVSLVNDGPVTFWLQV

2dboA

0.45

0.44

0.98

6.22

dPPAS

MRAVIQRVKKSWVEVDGKVVGSI---NEGLNVFLGVRKGDTEEDIEKLVNKILNLRIFEDERSVLDIKGEILVVSQFTLYANVKKGRRPSFEEAEEPKRAKELYEKFVDKIKESGLKVETGIFGAMMDVFIENWGPVTIIIDS

(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 1 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=1.91

Estimated TM-score = 0.99±0.04

Estimated RMSD = 1.1±1.1Å

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	1jkeA	0.954	0.77	0.429	0.979
2	1j7gA	0.944	0.80	0.439	0.972
3	2dboA	0.933	1.05	0.436	0.979
4	2okvB	0.919	1.13	0.381	0.972
5	3lmtA	0.914	1.27	0.293	0.979
6	1tc5A	0.859	1.81	0.187	0.972
7	2hl1B	0.758	1.93	0.198	0.846
8	4rrfA	0.758	2.09	0.156	0.853
9	4rr6A	0.754	2.11	0.172	0.853
10	2f3oA	0.544	3.90	0.054	0.797

(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	0.62	52	4rrqA	A3S	Rep, Mult	34,36,75,76,77,94,95,100,123,124,125,126,127
2	0.22	14	3ko9B	DAR	Rep, Mult	7,59,64,135,137
3	0.11	12	3ko5A	ADP	Rep, Mult	77,91,92,94,95,97
4	0.09	9	3lmvD	EPE	Rep, Mult	75,76,77,124,125,126
5	0.08	9	3lmtE	IOD	Rep, Mult	74,75,104,121,122,123,127
6	0.06	7	2dbo0	III	Rep, Mult	6,9,33,51,54,55,56,59,64,74,76,78,79,81,83,84,85,87,88,89,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141
7	0.03	3	3lmuB	IOD	Rep, Mult	6,131,133
8	0.03	4	3lmtA	IOD	Rep, Mult	2,80,82,93
9	0.01	1	3lmvB	SO3	Rep, Mult	16,126
10	0.01	1	3lmtE	IOD	Rep, Mult	68,117
11	0.01	2	3kodB	DSN	Rep, Mult	7,59,64,65
12	0.01	1	3lmvB	SO3	Rep, Mult	21,22,119
13	0.01	1	3ko9A	DAR	Rep, Mult	125,126
14	0.01	1	3kodD	DSN	Rep, Mult	77,97,124
15	0.01	1	1jkeA	ZN	Rep, Mult	101,105
16	0.01	1	3lmtA	IOD	Rep, Mult	50,54
17	0.01	1	3lmtA	IOD	Rep, Mult	16,25,26
18	0.01	2	3ko3C	ADP	Rep, Mult	64,65
19	0.00	1	1y2q0	III	Rep, Mult	2,4,16,76,78,126,127,128,129,130,131,132,133,135,138,140

	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	0.302	2hl1B	0.758	1.93	0.198	0.846	6.1.1.3	2,4,33,36,99,124
2	0.263	1j7gA	0.944	0.80	0.439	0.972	3.5.1.81	NA
3	0.233	2okvB	0.919	1.13	0.381	0.972	3.1.-.-	NA
4	0.208	3ko7A	0.912	1.29	0.293	0.979	3.1.-.-	NA
5	0.060	2ex2A	0.513	3.58	0.125	0.678	3.4.16.4	101
6	0.060	3ivcA	0.500	3.91	0.101	0.748	6.3.2.1	NA
7	0.060	2vgkD	0.507	3.99	0.122	0.727	3.4.16.4	95
8	0.060	1h7aA	0.495	4.51	0.083	0.818	1.17.4.2	NA
9	0.060	2cygA	0.497	4.17	0.082	0.741	3.2.1.39	NA
10	0.060	3fr8B	0.500	4.66	0.035	0.818	1.1.1.86	NA
11	0.060	2osxA	0.509	4.42	0.088	0.804	3.2.1.123	124
12	0.060	1ihoA	0.494	3.78	0.074	0.734	6.3.2.1	112
13	0.060	1ihoB	0.499	3.70	0.074	0.734	6.3.2.1	NA
14	0.060	1jkeA	0.954	0.77	0.429	0.979	3.1.-.-	NA
15	0.060	2hroA	0.498	3.72	0.027	0.699	2.7.3.9	NA
16	0.060	3em5A	0.466	4.09	0.092	0.713	3.2.1.39	130
17	0.060	2bfgA	0.496	4.31	0.074	0.762	3.2.1.37	NA
18	0.060	2ex0A	0.508	2.91	0.064	0.678	2.4.99.4,2.4.99.6,2.4.99.9	NA
19	0.060	2bs9E	0.484	4.47	0.074	0.769	3.2.1.37	52,114
20	0.060	1zyzA	0.489	4.49	0.045	0.818	1.17.4.1	NA
21	0.060	2dboA	0.933	1.05	0.436	0.979	3.1.-.-	NA
22	0.060	1vbgA	0.494	4.31	0.052	0.741	2.7.9.1	NA
23	0.060	2ejcA	0.495	3.72	0.046	0.741	6.3.2.1	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	0.56	0.916	1.25	0.29	0.98	4nbiA	GO:0000166 GO:0002161 GO:0005737 GO:0006399 GO:0006450 GO:0016787 GO:0016788 GO:0019478 GO:0051500
1	0.55	0.892	1.24	0.30	0.95	3lmvF	GO:0000166 GO:0002161 GO:0005737 GO:0006399 GO:0006450 GO:0016787 GO:0016788 GO:0019478 GO:0051500
2	0.53	0.944	0.80	0.44	0.97	1j7gA	GO:0002161 GO:0005737 GO:0006399 GO:0006450 GO:0016787 GO:0016788 GO:0019478 GO:0051500
3	0.53	0.954	0.77	0.43	0.98	1jkeA	GO:0002161 GO:0005737 GO:0006399 GO:0006450 GO:0009408 GO:0016787 GO:0016788 GO:0019478 GO:0051500
4	0.50	0.933	1.05	0.44	0.98	2dboA	GO:0002161 GO:0005737 GO:0006399 GO:0006450 GO:0016787 GO:0016788 GO:0019478 GO:0051500
5	0.48	0.919	1.13	0.38	0.97	2okvB	GO:0002161 GO:0003677 GO:0005634 GO:0005737 GO:0006260 GO:0006399 GO:0006450 GO:0016787 GO:0016788 GO:0019478 GO:0046872 GO:0051500
6	0.41	0.859	1.81	0.19	0.97	1tc5A	GO:0005737 GO:0016787 GO:0016788 GO:0019478
7	0.37	0.758	1.93	0.20	0.85	2hl1B	GO:0000166 GO:0004812 GO:0004829 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006435 GO:0008270 GO:0016874 GO:0046872
8	0.33	0.754	2.11	0.17	0.85	4rr6A	GO:0000166 GO:0004812 GO:0004829 GO:0005524 GO:0005737 GO:0006412 GO:0008270 GO:0016874
9	0.27	0.766	2.04	0.16	0.85	4rrfE	GO:0000166 GO:0003723 GO:0004812 GO:0004829 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006435 GO:0008270 GO:0016874 GO:0046872
10	0.06	0.391	4.13	0.04	0.61	3io5B	GO:0000166 GO:0003677 GO:0003697 GO:0005524 GO:0006259 GO:0006260 GO:0006281 GO:0006310 GO:0006974 GO:0008094
11	0.06	0.344	4.58	0.08	0.57	1g43A	GO:0000272 GO:0005975 GO:0030246 GO:0030248 GO:0046872
12	0.06	0.462	3.83	0.04	0.71	3kowB	GO:0003824 GO:0008152 GO:0016853 GO:0031419 GO:0046872 GO:0046983 GO:0047831
13	0.06	0.326	5.35	0.04	0.62	3euwA	GO:0008152 GO:0016491 GO:0050112 GO:0055114
14	0.06	0.288	5.90	0.03	0.61	1yaeF	GO:0001662 GO:0004872 GO:0004970 GO:0005216 GO:0005234 GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0006874 GO:0006886 GO:0007268 GO:0008066 GO:0008328 GO:0014069 GO:0015277 GO:0016020 GO:0016021 GO:0019228 GO:0030054 GO:0030165 GO:0030424 GO:0030425 GO:0031624 GO:0031625 GO:0032839 GO:0032983 GO:0034220 GO:0035235 GO:0035249 GO:0042391 GO:0042734 GO:0042802 GO:0042803 GO:0043025 GO:0043113 GO:0043195 GO:0043204 GO:0043524 GO:0043525 GO:0045202 GO:0045211 GO:0046328 GO:0048169 GO:0048172 GO:0050804 GO:0050806 GO:0051402 GO:0051967 GO:0060079 GO:0060080
15	0.06	0.320	5.58	0.04	0.60	4r3eA	GO:0000398 GO:0000413 GO:0003755 GO:0005634 GO:0006457 GO:0016853 GO:0071013
16	0.06	0.323	5.37	0.10	0.62	2fboJ	GO:0005576 GO:0006030 GO:0008061
17	0.06	0.290	4.52	0.06	0.45	4xxxA	GO:0005576 GO:0009405 GO:0044315
18	0.06	0.254	5.29	0.06	0.50	3j83A	GO:0005576 GO:0009405 GO:0044315
19	0.06	0.322	5.48	0.07	0.61	4f23A	GO:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0019064 GO:0019065 GO:0020002 GO:0033644 GO:0039654 GO:0039663 GO:0046718 GO:0046789 GO:0055036 GO:0075509 GO:0075512
20	0.06	0.285	5.16	0.03	0.54	2fu0A	GO:0000413 GO:0003755 GO:0006457 GO:0016018 GO:0016853
21	0.06	0.262	4.76	0.05	0.43	4hs5A	GO:0008199 GO:0016226

Consensus prediction of GO terms

Molecular Function	GO:0051500	GO:0002161	GO:0000166
GO-Score	0.98	0.98	0.80
Biological Processes	GO:0006450	GO:0006399	GO:0019478	GO:0009408
GO-Score	0.98	0.98	0.98	0.53
Cellular Component	GO:0005737
GO-Score	0.98

(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 Rv1897c

[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]