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I-TASSER results for job id Rv0754

[Click on result.tar.bz2 to download the tarball file including all modelling results listed on this page]

 Input Sequence in FASTA format
 Predicted Secondary Structure
 Predicted Solvent Accessibility
 Predicted Normalized B-facotr
 Top 10 threading templates used by I-TASSER
 Top 3 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.)
 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.)


 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
10.19 9 3my9A MG Rep, Mult 322,325
20.11 5 1h9sB MOO Rep, Mult 293,296
30.07 3 4jcbT BCL Rep, Mult 300,304
40.04 2 3cc9C GRG Rep, Mult 296,299
50.02 1 3nwyA GTP Rep, Mult 340,341
60.02 1 2muwB 3LW Rep, Mult 298,301
70.02 1 4r6cA 6BP Rep, Mult 343,346,347
80.02 1 3db1A PO4 Rep, Mult 289,290,293,365,446

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

RankCscoreECPDB
Hit
TM-scoreRMSDaIDENaCovEC NumberActive Site Residues
10.0603btaA0.3077.800.0380.5003.4.24.69NA
20.0601z0hB0.2146.550.0320.3103.4.24.69NA
30.0601kc7A0.3387.940.0700.5532.7.9.1361
40.0603gtgB0.3077.990.0260.5032.7.7.6343,444
50.0601b0pA0.3158.070.0540.5291.2.7.1NA
60.0603h0gA0.3097.680.0280.4952.7.7.6NA
70.0601bglA0.3078.280.0530.5223.2.1.23365
80.0602uv8G0.3137.640.0330.5052.3.1.86NA
90.0602pffD0.3047.880.0280.4982.3.1.86NA
100.0601ob2A0.2087.230.0270.3243.6.1.48NA
110.0602vumB0.2528.230.0370.4282.7.7.6155,176,309
120.0603eqlM0.2988.340.0470.5142.7.7.6192
130.0603gm8A0.3087.680.0280.4973.2.1.-NA
140.0601hn0A0.3178.000.0340.5274.2.2.20NA
150.0603iayA0.3098.120.0400.5242.7.7.7NA
160.0602pffB0.3288.130.0460.5502.3.1.86369
170.0602vuaA0.2056.660.0340.3013.4.24.69301,325
180.0602j5wA0.3148.060.0340.5201.16.3.1NA
190.0601ahpA0.3207.610.0490.5152.4.1.1NA

(a)CscoreEC is the confidence score for the EC number prediction. CscoreEC 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)RMSDa is the RMSD between residues that are structurally aligned by TM-align.
(d)IDENa 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

Homologous GO templates in PDB 
RankCscoreGOTM-scoreRMSDaIDENaCovPDB HitAssociated GO Terms
00.060.2888.040.050.483cfoA GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0004518 GO:0004527 GO:0006260 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0039693 GO:0071897 GO:0090305
10.060.3827.530.060.613ecqB GO:0005576 GO:0005618 GO:0008152 GO:0009405 GO:0016020 GO:0016787 GO:0016798 GO:0033926 GO:0046872 GO:0050110
20.060.2788.150.060.475d0uA GO:0000166 GO:0003676 GO:0004386 GO:0005524 GO:0008026 GO:0016787
30.060.3808.010.070.642zxqA GO:0008152 GO:0016020 GO:0016021 GO:0016787 GO:0016798 GO:0033926 GO:0046872 GO:0050110
40.060.2808.000.020.473wsyA GO:0000042 GO:0001540 GO:0004888 GO:0005576 GO:0005615 GO:0005641 GO:0005768 GO:0005769 GO:0005783 GO:0005794 GO:0005802 GO:0005887 GO:0006605 GO:0006622 GO:0006629 GO:0006810 GO:0006869 GO:0006892 GO:0006897 GO:0006898 GO:0007165 GO:0008202 GO:0008203 GO:0014910 GO:0016020 GO:0016021 GO:0030169 GO:0030306 GO:0031985 GO:0032091 GO:0032460 GO:0034362 GO:0043407 GO:0045053 GO:0045732 GO:0050768 GO:0051604 GO:0055037 GO:0070062 GO:0070863 GO:1901215 GO:1902430 GO:1902771 GO:1902948 GO:1902953 GO:1902955 GO:1902960 GO:1902963 GO:1902966 GO:1902997 GO:2001137
50.060.2567.600.030.414lxfA GO:0003824 GO:0005975 GO:0046872
60.060.2607.790.020.423zo9B GO:0000023 GO:0000272 GO:0003824 GO:0004556 GO:0005509 GO:0005975 GO:0005977 GO:0005978 GO:0005991 GO:0008152 GO:0016787 GO:0016798 GO:0016853 GO:0046872 GO:0047471
70.060.2287.510.030.362y51A GO:0000166 GO:0008152 GO:0016491 GO:0016620 GO:0055114
80.060.2387.720.040.393wy1A GO:0000023 GO:0003824 GO:0004558 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0032450 GO:0046872
90.060.2457.100.040.375brpA GO:0003824 GO:0005737 GO:0005975 GO:0005993 GO:0008788 GO:0016787
100.060.2267.360.030.351m53A GO:0003824 GO:0005975
110.060.2457.850.040.401m1cA GO:0019012 GO:0019028
120.060.2557.700.040.414lxfB GO:0003824 GO:0005975 GO:0046872
130.060.2247.840.040.364aieA GO:0003824 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0043896 GO:0046872
140.060.2026.290.050.293ftbA GO:0003824 GO:0008483 GO:0009058 GO:0016740 GO:0030170
150.060.2177.160.040.341kywC GO:0008168 GO:0008171 GO:0009699 GO:0009809 GO:0016740 GO:0032259 GO:0046983 GO:0047763
160.060.2036.270.040.293hf2A GO:0003824 GO:0003958 GO:0004497 GO:0005506 GO:0005737 GO:0008152 GO:0010181 GO:0016491 GO:0016705 GO:0016712 GO:0020037 GO:0042802 GO:0046872 GO:0055114 GO:0070330
170.060.1936.810.030.294ijpB GO:0000166 GO:0000398 GO:0004672 GO:0004674 GO:0005524 GO:0005634 GO:0005654 GO:0005681 GO:0005694 GO:0006397 GO:0006468 GO:0008380 GO:0016301 GO:0016310 GO:0016740 GO:0044822 GO:0071013
180.060.1906.630.060.284ojjC GO:0000290 GO:0000776 GO:0000932 GO:0001731 GO:0003682 GO:0003723 GO:0003729 GO:0005634 GO:0005737 GO:0006397 GO:0006417 GO:0006446 GO:0007049 GO:0007059 GO:0010494 GO:0022627 GO:0033962 GO:0045947 GO:0051301 GO:0061641 GO:1990726


Consensus prediction of GO terms
 
Molecular Function GO:0003824
GO-Score 0.32
Biological Processes GO:0070863 GO:1901215 GO:1902960 GO:0039693 GO:1902953 GO:0045053 GO:0006892 GO:0008203 GO:0045732 GO:0006622 GO:0050768 GO:0006869 GO:0043407 GO:2001137 GO:0051604 GO:1902771 GO:1902955 GO:0006898 GO:0071897 GO:0032460 GO:0090305 GO:1902997 GO:0032091 GO:0000042 GO:0009405 GO:1902948 GO:1902430 GO:1902966 GO:1902963 GO:0014910
GO-Score 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06
Cellular Component GO:0005802 GO:0055037 GO:0005887 GO:0034362 GO:0005618 GO:0005769 GO:0005783 GO:0005641 GO:0070062 GO:0031985
GO-Score 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06

(a)CscoreGO 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)RMSDa is the RMSD between residues that are structurally aligned by TM-align.
(d)IDENa 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 CscoreGO 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.