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I-TASSER results for job id Rv0926c

[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 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.)
 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
10.34 23 1yl7A NAD Rep, Mult 8,10,11,12,13,33,34,35,76,79,85,103,104,105,137,138,139,140,322
20.03 2 2dpgA NAP Rep, Mult 9,11,12,13,34,35,36,60
30.02 1 1xcbD CA Rep, Mult 139,140
40.02 1 2zfzC ARG Rep, Mult 11,43
50.02 1 3euwB NA Rep, Mult 21,22,23,24,25,27,28
60.02 1 3ec7A NAD Rep, Mult 8,9,11,12,13,33,34,35,39,79,81,82,86,139,141,322
70.02 1 2o4uX PO4 Rep, Mult 2,3,331,335
80.02 1 1ryeD NDP Rep, Mult 60,61,64,65,66
90.02 1 2ddsB CO Rep, Mult 131,166

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
10.1841yl5A0.5762.980.1010.6621.3.1.26NA
20.1541dihA0.6242.950.1700.7241.3.1.26NA
30.0771vm6B0.4704.060.0950.5891.3.1.26NA
40.0672o4uX0.5784.380.1050.7401.3.1.2084,139
50.0672o48X0.5794.410.0980.7401.1.1.179,1.3.1.20NA
60.0672h63D0.5264.360.0980.6701.3.1.24157
70.0662dc1A0.4754.280.1010.6061.4.1.2177
80.0602qz9A0.5234.690.1200.6961.2.1.11NA
90.0601dapA0.5244.080.0870.6541.4.1.169,12,29,322
100.0602ep5A0.5414.850.1020.7351.2.1.11156,161
110.0601ys4A0.5364.630.1270.7151.2.1.11NA
120.0603ijpB0.6212.850.1680.7151.3.1.26NA
130.0601i33C0.5224.560.0980.6871.2.1.12NA
140.0603euwD0.5584.340.1080.7181.1.1.18NA
150.0601e5qA0.5684.680.0890.7541.5.1.10NA
160.0602glxE0.5474.560.1120.7121.1.1.263NA
170.0601gcuA0.5284.380.1090.6791.3.1.24157
180.0603mtjA0.5194.880.1200.7011.1.1.3130,139
190.0602glxA0.5464.610.1010.7151.1.1.29288,134
200.0602nqtA0.5394.280.1060.6961.2.1.38142,305,322
210.0601h6dA0.5614.670.1160.7461.1.99.28NA
220.0602axqA0.5814.230.1000.7431.5.1.10NA
230.0601p1jA0.5514.740.0780.7355.5.1.4246,270
240.0601dpgA0.5814.370.0800.7571.1.1.49NA
250.0601ywgO0.5204.470.0920.6791.2.1.12NA
260.0602cvoA0.5614.110.1020.7071.2.1.389

(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
00.190.6212.850.170.723ijpB GO:0005737 GO:0008652 GO:0008839 GO:0009085 GO:0009089 GO:0016491 GO:0016726 GO:0019877 GO:0050661 GO:0051287 GO:0055114
10.180.5712.740.120.645eerA GO:0005737 GO:0008652 GO:0008839 GO:0009085 GO:0009089 GO:0016491 GO:0016726 GO:0019877 GO:0050661 GO:0051287 GO:0055114
20.180.4904.050.130.603bioB GO:0008652 GO:0009085 GO:0009089 GO:0016491 GO:0019877 GO:0047850 GO:0055114
30.170.3126.970.070.541hfeL GO:0005506 GO:0008901 GO:0016491 GO:0042597 GO:0046872 GO:0051536 GO:0051539 GO:0055114
40.160.5762.980.100.661yl5A GO:0005618 GO:0005737 GO:0005829 GO:0005886 GO:0008652 GO:0008839 GO:0009085 GO:0009089 GO:0016491 GO:0016726 GO:0019877 GO:0050661 GO:0051287 GO:0055114 GO:0070402 GO:0070404
50.160.6242.950.170.721dihA GO:0005737 GO:0005829 GO:0008652 GO:0008839 GO:0009085 GO:0009089 GO:0016491 GO:0016726 GO:0019877 GO:0042802 GO:0050661 GO:0051287 GO:0055114
60.140.4994.270.150.623wb9A GO:0000166 GO:0008652 GO:0009085 GO:0009089 GO:0016491 GO:0019877 GO:0047850 GO:0055114
70.080.6302.780.160.724ywjA GO:0005737 GO:0005829 GO:0008652 GO:0008839 GO:0009085 GO:0009089 GO:0016491 GO:0016726 GO:0019877 GO:0050661 GO:0051287 GO:0055114
80.080.4704.060.100.591vm6B GO:0005737 GO:0005829 GO:0008652 GO:0008839 GO:0009085 GO:0009089 GO:0016491 GO:0016726 GO:0019877 GO:0050661 GO:0051287 GO:0055114
90.070.6272.810.170.724f3yA GO:0005737 GO:0008652 GO:0008839 GO:0009085 GO:0009089 GO:0016491 GO:0016726 GO:0019877 GO:0050661 GO:0051287 GO:0055114
100.070.5254.290.100.663wybA GO:0008652 GO:0008839 GO:0009085 GO:0009089 GO:0016491 GO:0019877 GO:0047850 GO:0055114
110.070.5304.830.120.713c1aA GO:0016491 GO:0055114
120.070.5164.370.130.674p8rA GO:0000166 GO:0004365 GO:0006006 GO:0006096 GO:0016491 GO:0016620 GO:0046872 GO:0050661 GO:0051287 GO:0055114
130.070.5123.780.090.643qy9B GO:0005737 GO:0008652 GO:0008839 GO:0009085 GO:0009089 GO:0016491 GO:0016726 GO:0019877 GO:0042802 GO:0050661 GO:0051287 GO:0055114
140.060.4185.790.070.624a26A GO:0003824 GO:0004477 GO:0004487 GO:0004488 GO:0005829 GO:0006730 GO:0009396 GO:0016491 GO:0016787 GO:0055114
150.060.3716.340.060.594txgA GO:0004553 GO:0004568 GO:0005576 GO:0005975 GO:0006032 GO:0008152 GO:0016787 GO:0016798 GO:0030246
160.060.3026.020.040.473oixA GO:0000166 GO:0003824 GO:0004152 GO:0005737 GO:0006207 GO:0006221 GO:0006222 GO:0016491 GO:0016627 GO:0044205 GO:0055114
170.060.2814.940.070.392gt1A GO:0008152 GO:0008920 GO:0009244 GO:0016740 GO:0016757
180.060.2766.690.030.473cx3A GO:0005886 GO:0006810 GO:0007155 GO:0010043 GO:0030001 GO:0046872
190.060.2876.850.030.493ugtC GO:0000166 GO:0003723 GO:0004812 GO:0004829 GO:0005524 GO:0005737 GO:0005739 GO:0005759 GO:0006412 GO:0006418 GO:0006435 GO:0016874 GO:0070159
200.060.1655.150.030.234f0hB GO:0004497 GO:0009507 GO:0009536 GO:0015977 GO:0015979 GO:0016491 GO:0016829 GO:0016984 GO:0019253 GO:0055114
210.060.1434.540.050.192ot2A GO:0005506 GO:0042802 GO:0051604 GO:1902670


Consensus prediction of GO terms
 
Molecular Function GO:0016726 GO:0008839 GO:0051287 GO:0050661 GO:0016639 GO:0051540 GO:0046914 GO:0016699
GO-Score 0.45 0.45 0.45 0.45 0.36 0.33 0.33 0.33
Biological Processes GO:0055114 GO:0009089 GO:0019877
GO-Score 0.62 0.54 0.54
Cellular Component GO:0030312 GO:0044444
GO-Score 0.32 0.32

(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.