I-TASSER results

Input Sequence in FASTA format

>protein (133 residues)
MTRLELRVVVAAVLAATVVLGAVVCAAYGLTIVASAMSIYALGVGAWLYHAIERLILARR
ISTVRTAAKPLQPLLPVMAAIMGLTQAVVRSLGDVTDLPARRRELSQLPVLRWVDNSGNR
ANRRIADSDDLAD

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 \| \| \| \| \| \| MTRLELRVVVAAVLAATVVLGAVVCAAYGLTIVASAMSIYALGVGAWLYHAIERLILARRISTVRTAAKPLQPLLPVMAAIMGLTQAVVRSLGDVTDLPARRRELSQLPVLRWVDNSGNRANRRIADSDDLAD
Prediction	CCHHHHHHHHHHHHHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHCCCCCCHHHHHHHCCCCCCCEEHCCCCCCC
Conf.Score	9746789999999999999999998876557788888988988889999999999999988888876666655799999998778999999865655774454457886556665468888866666898999
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 \| \| \| \| \| \| MTRLELRVVVAAVLAATVVLGAVVCAAYGLTIVASAMSIYALGVGAWLYHAIERLILARRISTVRTAAKPLQPLLPVMAAIMGLTQAVVRSLGDVTDLPARRRELSQLPVLRWVDNSGNRANRRIADSDDLAD
Prediction	7541403000013132211200001223312211321313010111102300431011431431442143142113131123212431143134146133542635412112113456645433226476568
	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

CCHHHHHHHHHHHHHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHCCCCCCHHHHHHHCCCCCCCEEHCCCCCCC
MTRLELRVVVAAVLAATVVLGAVVCAAYGLTIVASAMSIYALGVGAWLYHAIERLILARRISTVRTAAKPLQPLLPVMAAIMGLTQAVVRSLGDVTDLPARRRELSQLPVLRWVDNSGNRANRRIADSDDLAD

4yc7B2

0.20

0.17

0.85

0.69

MUSTER

NNNPRTKALVLELLAAVCLV--------GHEIILSAFDNFKEVCG-------EK----QRFEKLMEHFRNEDNNIDFMVASMQFINIVVHSVEDMNFRVHLQYEFTKLGLDEYLDKLKHTESDKLIQ-DNVFD

5appA

0.05

0.89

0.54

dPPAS

EILSKIYHIENEIARIKKLIQNVDVRSTENAARSRANEQKIAENKKAIENKADKADVEKNRADIAANSRAIATFRSSSQNIAALTTKMKQIEDKIEEILSKIYHIENE-IARIKKLIKLH-------------

4yc7B2

0.20

0.17

0.85

0.61

wdPPAS

NKNPRTKALVLELLAAVCLV--------GHEIILSAFDNFKEVCG-------EK----QRFEKLMEHFRNEDNNIDFMVASMQFINIVVHSVEDMNFRVHLQYEFTKLGLDEYLDKLKHTESDKLIQ-DNVFD

4yc7B2

0.20

0.17

0.85

0.75

wMUSTER

NNNPRTKALVLELLAAVCLV--------GHEIILSAFDNFKEVCG-------EK----QRFEKLMEHFRNEDNNIDFMVASMQFINIVVHSVEDMNFRVHLQYEFTKLGLDEYLDKLKHTESDKLIQ-DNVFD

4yc7B2

0.21

0.17

0.83

0.67

wPPAS

NNNPRTKALVLELLAAVCLV--------GHEIILSAFDNFKEVCG-------EK----QRFEKLMEHFRNEDNNIDFMVASMQFINIVVHSVEDMNF---LQYEFTKLGLDEYLDKLKHTESDKLIQ-DNVFD

4yc7B2

0.20

0.17

0.87

0.59

dPPAS2

NKNPRTKALVLELLAAVCLVRG------GHEIILSAFDNFKEVCG-------EK----QRFEKLMEHFRNEDNNIDFMVASMQFINIVVHSVEDMNFRVHLQYEFTKLGLDEYLDKLKHTESDKLIQADNVFD

4yc7B2

0.20

0.17

0.85

0.73

PPAS

NNNPRTKALVLELLAAVCLV--------GHEIILSAFDNFKEVCG-------EK----QRFEKLMEHFRNEDNNIDFMVASMQFINIVVHSVEDMNFRVHLQYEFTKLGLDEYLDKLKHTESDKLIQ-DNVFD

3atsA1

0.26

0.20

0.77

0.76

Env-PPAS

----TLPAVISRWLSSVLPGG----AAPEVTVESGVDSTIILTA-RWQQDSIQQKLVARV--------APAAEDVPVFPTYLDHQFEVIRLVGELTDVPV--------PRVRWIETTGD-----VLGTPDYVE

4tvxU2

0.12

0.11

0.90

0.67

MUSTER

YGNVINEIVTVGLGYKTALRKALYTFAEGFK--NKDFK----GAGVSVHETAERHFYRQSELLIPDVLANVQADEVIADLRDKLHQLCEMLFNQSVA-PYAH-HPKLISTLALARATLYKHLRELKPQ-----

5ezmA3

0.21

0.15

0.72

0.54

dPPAS

PRSWGKQLIGMAIVAACGLLASPVVATLNANHINSFYRAYAVWVAVAFVVMLLGIAVARLLLRRGVL-----PSVAVYAMGMYLGFTVALLGHETVGRPAS--------------------------------

(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=-1.73

Estimated TM-score = 0.50±0.15

Estimated RMSD = 8.2±4.5Å

Download Model 2

C-score=-2.36

Download Model 3

C-score=-2.11

Download Model 4

C-score=-4.43

Download Model 5

C-score=-3.55

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	4yc7B	0.749	1.98	0.174	0.865
2	4kf7A	0.726	2.77	0.064	0.932
3	2bnxB	0.721	2.24	0.155	0.872
4	3dadA2	0.705	2.31	0.078	0.857
5	5hb4B	0.674	2.82	0.123	0.857
6	4dvgB	0.669	3.14	0.111	0.872
7	5cwvA	0.659	2.90	0.115	0.850
8	4ifqA2	0.657	3.12	0.026	0.865
9	5ijoJ	0.651	2.90	0.133	0.835
10	1qgkA3	0.650	2.33	0.151	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	0.18	10	5huyC	III	Rep, Mult	12,16,18,21,30,80,83,86,87,90,129
2	0.06	3	1qz7A	III	Rep, Mult	5,8,9,12,15,16,74,76,80,124,127
3	0.05	3	2bkoA	CA	Rep, Mult	64,67
4	0.05	3	4evaC	URE	Rep, Mult	12,83,86,87,128
5	0.03	2	3obvB	SUC	Rep, Mult	7,40,41,44,45,48
6	0.03	2	1ee4B	III	Rep, Mult	18,19,21,30,84,87,88
7	0.02	1	1dd1C	SO4	Rep, Mult	59,60,65
8	0.02	1	2wtfA	CA	Rep, Mult	94,97
9	0.02	1	1l5nA	PO4	Rep, Mult	15,17,45,46
10	0.02	1	3n2oB	AG2	Rep, Mult	127,128
11	0.02	1	3d1lA	MPR	Rep, Mult	84,109
12	0.02	1	3obvA	SUC	Rep, Mult	38,59,60,100,104,107

	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	1gwcC	0.545	4.08	0.158	0.827	2.5.1.18	NA
2	0.060	1ksdA	0.552	3.75	0.110	0.812	3.2.1.4	NA
3	0.060	1u3iA	0.549	3.47	0.064	0.789	2.5.1.18	NA
4	0.060	2eabA	0.554	3.91	0.053	0.827	3.2.1.63	NA
5	0.060	1b8xA	0.547	3.57	0.028	0.774	2.5.1.18	NA
6	0.060	2il3A	0.545	3.43	0.078	0.767	2.5.1.18	NA
7	0.060	1bg5A	0.546	3.76	0.028	0.789	2.5.1.18	NA
8	0.060	1gumG	0.543	3.92	0.073	0.782	2.5.1.18	57
9	0.060	2vo4A	0.537	3.80	0.036	0.820	2.5.1.18	NA
10	0.060	1b48A	0.541	3.56	0.085	0.767	2.5.1.18	NA
11	0.060	13gsA	0.539	4.15	0.045	0.804	2.5.1.18	NA
12	0.060	2vcvA	0.530	4.18	0.064	0.797	2.5.1.18	NA
13	0.060	1fp3A	0.541	3.75	0.074	0.804	5.1.3.8	107,114
14	0.060	1js4A	0.562	3.94	0.098	0.835	3.2.1.4	NA
15	0.060	1ks8A	0.553	3.74	0.110	0.812	3.2.1.4	NA
16	0.060	1dl2A	0.573	3.52	0.046	0.812	3.2.1.113	NA
17	0.060	1w6jA	0.556	3.62	0.083	0.804	5.4.99.7	29
18	0.060	1agsA	0.514	4.40	0.088	0.804	2.5.1.18	NA
19	0.060	2caiB	0.540	3.47	0.083	0.782	2.5.1.18	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	0.19	0.707	2.36	0.16	0.87	1z2cB	GO:0003779 GO:0005522 GO:0005737 GO:0005815 GO:0005819 GO:0005856 GO:0005886 GO:0005903 GO:0007010 GO:0007015 GO:0007420 GO:0007605 GO:0008360 GO:0016020 GO:0016043 GO:0017048 GO:0030036 GO:0030041 GO:0031175 GO:0032587 GO:0032886 GO:0035372 GO:0042802 GO:0042995 GO:0043005 GO:0044325 GO:0044822 GO:0051279 GO:0071420 GO:0072686
1	0.18	0.705	2.31	0.08	0.86	3dadA	GO:0001725 GO:0003779 GO:0005634 GO:0005737 GO:0005856 GO:0016020 GO:0032059 GO:0042802 GO:0042995 GO:0045944 GO:0051496
2	0.14	0.749	1.98	0.17	0.86	4yc7B	GO:0003779 GO:0005737 GO:0005829 GO:0005913 GO:0007010 GO:0016043 GO:0017048 GO:0022604 GO:0030036 GO:0030866 GO:0098609 GO:0098641
3	0.12	0.726	2.77	0.06	0.93	4kf7A	GO:0005643 GO:0006406 GO:0006606 GO:0006999 GO:0017056 GO:0031990 GO:0044611
4	0.07	0.740	2.03	0.16	0.86	4ydhA	GO:0003779 GO:0005522 GO:0005737 GO:0005829 GO:0005886 GO:0005938 GO:0006929 GO:0007010 GO:0008360 GO:0009987 GO:0016020 GO:0016043 GO:0017048 GO:0030036 GO:0030866 GO:0031410 GO:0032059 GO:0032794 GO:0042995 GO:0045335 GO:0048365 GO:0051014 GO:0051015 GO:0070062
5	0.07	0.528	3.95	0.04	0.84	4f7rD	GO:0019904
6	0.07	0.721	2.24	0.15	0.87	2bnxB	GO:0003779 GO:0005522 GO:0005737 GO:0005815 GO:0005819 GO:0005856 GO:0005886 GO:0005903 GO:0007010 GO:0007015 GO:0007420 GO:0007605 GO:0008360 GO:0016020 GO:0016043 GO:0017048 GO:0030036 GO:0030041 GO:0031175 GO:0032587 GO:0032886 GO:0035372 GO:0042802 GO:0042995 GO:0043005 GO:0044325 GO:0044822 GO:0051279 GO:0071420 GO:0072686
7	0.07	0.445	4.57	0.02	0.72	1k9xA	GO:0004180 GO:0004181 GO:0006508 GO:0008233 GO:0008237 GO:0016787 GO:0046872 GO:0050897
8	0.06	0.396	4.54	0.04	0.63	4wnlC	GO:0003723 GO:0003729 GO:0005634 GO:0005737 GO:0005789 GO:0005934 GO:0006810 GO:0007533 GO:0008289 GO:0008298 GO:0051028
9	0.06	0.390	3.81	0.07	0.59	1xlyB	GO:0003723 GO:0003729 GO:0005634 GO:0005737 GO:0005789 GO:0005934 GO:0006810 GO:0007533 GO:0008289 GO:0008298 GO:0051028
10	0.06	0.369	4.66	0.08	0.58	4g3kA	GO:0000166 GO:0003677 GO:0005524 GO:0006351 GO:0006355 GO:0008134 GO:0043565
11	0.06	0.413	4.36	0.06	0.66	5bywE	GO:0000272 GO:0004553 GO:0005975 GO:0008152 GO:0008810 GO:0016787 GO:0016798 GO:0030245
12	0.06	0.346	4.86	0.07	0.56	3i7mA	GO:0016787
13	0.06	0.386	4.56	0.03	0.65	4q0mA	GO:0004067 GO:0006520
14	0.06	0.337	4.01	0.09	0.53	1q0dA	GO:0004784 GO:0005737 GO:0016151 GO:0016209 GO:0016491 GO:0019430 GO:0046872 GO:0055114 GO:0098869
15	0.06	0.349	4.40	0.08	0.56	1krhA	GO:0008860 GO:0009055 GO:0016491 GO:0019439 GO:0042203 GO:0046872 GO:0051536 GO:0051537 GO:0055114
16	0.06	0.330	3.95	0.08	0.52	3g4xA	GO:0004784 GO:0005737 GO:0016151 GO:0016209 GO:0016491 GO:0019430 GO:0046872 GO:0055114 GO:0098869
17	0.06	0.322	5.16	0.09	0.61	2k4eA	GO:0003676 GO:0003677 GO:0003723 GO:0003824 GO:0003887 GO:0003964 GO:0004190 GO:0004518 GO:0004519 GO:0004523 GO:0004533 GO:0005198 GO:0006278 GO:0006310 GO:0006508 GO:0008152 GO:0008233 GO:0008270 GO:0008289 GO:0015074 GO:0016020 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0019012 GO:0019013 GO:0019028 GO:0019076 GO:0020002 GO:0030430 GO:0033644 GO:0039657 GO:0042025 GO:0044174 GO:0046718 GO:0046872 GO:0055036 GO:0072494 GO:0075713 GO:0075732 GO:0090305 GO:0090502 GO:0090503
18	0.06	0.265	4.26	0.10	0.39	3toqA	GO:0003998 GO:0006796 GO:0016787 GO:0070062

Consensus prediction of GO terms

Molecular Function	GO:0003779	GO:0003723	GO:0017048	GO:0042802
GO-Score	0.47	0.38	0.35	0.34
Biological Processes	GO:0022604	GO:0030865	GO:0072698	GO:1903169	GO:0048513	GO:0030030	GO:0034776	GO:0008154	GO:0050954	GO:0007417	GO:0071417	GO:0051209	GO:0048666	GO:0060322	GO:0007017	GO:0010522	GO:0071407	GO:0090279	GO:0051258	GO:0032233	GO:0006357	GO:0051492	GO:0045893
GO-Score	0.49	0.39	0.38	0.38	0.38	0.38	0.38	0.38	0.38	0.38	0.38	0.38	0.38	0.38	0.38	0.38	0.38	0.38	0.38	0.36	0.36	0.36	0.36
Cellular Component	GO:0044444	GO:0097458	GO:0005819	GO:0031253	GO:0098862	GO:0001726	GO:0031256	GO:0097517	GO:0042641	GO:0043231
GO-Score	0.39	0.38	0.38	0.38	0.38	0.38	0.38	0.36	0.36	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 Rv2532c

[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]