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I-TASSER results for job id Rv1059

[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
10.36 18 1druA NAD Rep, Mult 10,13,14,15,36,37,76,77,78,81,99,100,101,126,127,128,129,317
20.04 2 3ec7C NAD Rep, Mult 13,14,15,35,36,37,38,41,63,76,78,79,81,82,99,100,101,317
30.04 2 1yl5A MG Rep, Mult 23,24,26,29
40.04 2 1arzB PDC Rep, Mult 100,127,159,162,167,193,194,317
50.02 1 2o4uX PO4 Rep, Mult 11,13,41
60.02 1 1h6dA NDP Rep, Mult 86,92,93,94,95,96
70.02 1 1arzA PO4 Rep, Mult 159,162,240,314

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
10.2081dihA0.6682.680.1640.7571.3.1.26NA
20.1441vm6B0.5133.140.1160.6051.3.1.26NA
30.0672o48X0.5764.960.0850.7741.1.1.179,1.3.1.20NA
40.0672h63D0.5234.780.1050.7011.3.1.24NA
50.0673ec7A0.5674.610.0980.7511.1.1.18NA
60.0673ceaA0.5604.910.0850.7541.1.1.1813,78,109
70.0662dc1A0.4674.610.0960.6221.4.1.21127
80.0661gcuA0.5254.630.1020.6951.3.1.24205
90.0601qkiF0.5794.820.0530.7681.1.1.49NA
100.0602cvoA0.5574.870.0820.7461.2.1.38318
110.0602gd1O0.5285.060.1060.7231.2.1.1213,127,236
120.0603euwD0.5534.710.1130.7351.1.1.1883,124
130.0601dpgA0.5774.960.0590.7801.1.1.49NA
140.0602ep5A0.5415.230.1240.7491.2.1.11NA
150.0601yl5A0.5922.640.1220.6501.3.1.26NA
160.0602ph5A0.5654.820.0870.7632.5.1.4413,15
170.0602g17A0.5414.960.1140.7351.2.1.3813
180.0601h6dA0.5654.950.0760.7741.1.99.28NA
190.0603ijpB0.7241.130.1440.7431.3.1.26NA
200.0601k3tA0.5305.060.0700.7291.2.1.12NA
210.0602ixaA0.5555.350.0840.7713.2.1.4911,13,78,88
220.0601ydwB0.5465.000.0790.7491.-.-.-NA
230.0601e5qA0.5684.810.0790.7601.5.1.1098,318
240.0602glxE0.5515.080.0880.7511.1.1.263NA
250.0601i33C0.5325.010.0810.7291.2.1.12NA
260.0601p1jA0.5654.690.1100.7515.5.1.413
270.0602o4uX0.5754.960.0880.7741.3.1.2013

(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
00.250.5922.640.120.651yl5A 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
10.240.7241.130.140.743ijpB GO:0005737 GO:0008652 GO:0008839 GO:0009085 GO:0009089 GO:0016491 GO:0016726 GO:0019877 GO:0050661 GO:0051287 GO:0055114
20.210.6792.140.160.744ywjA GO:0005737 GO:0005829 GO:0008652 GO:0008839 GO:0009085 GO:0009089 GO:0016491 GO:0016726 GO:0019877 GO:0050661 GO:0051287 GO:0055114
30.200.6712.390.190.744f3yA GO:0005737 GO:0008652 GO:0008839 GO:0009085 GO:0009089 GO:0016491 GO:0016726 GO:0019877 GO:0050661 GO:0051287 GO:0055114
40.180.6682.680.160.761dihA 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
50.170.5822.750.100.655eerA GO:0005737 GO:0008652 GO:0008839 GO:0009085 GO:0009089 GO:0016491 GO:0016726 GO:0019877 GO:0050661 GO:0051287 GO:0055114
60.160.5054.320.130.633bioB GO:0008652 GO:0009085 GO:0009089 GO:0016491 GO:0019877 GO:0047850 GO:0055114
70.130.5114.280.160.653wb9A GO:0000166 GO:0008652 GO:0009085 GO:0009089 GO:0016491 GO:0019877 GO:0047850 GO:0055114
80.120.5942.730.100.673qy9B GO:0005737 GO:0008652 GO:0008839 GO:0009085 GO:0009089 GO:0016491 GO:0016726 GO:0019877 GO:0042802 GO:0050661 GO:0051287 GO:0055114
90.080.5385.010.130.733c1aA GO:0016491 GO:0055114
100.080.5133.140.120.601vm6B GO:0005737 GO:0005829 GO:0008652 GO:0008839 GO:0009085 GO:0009089 GO:0016491 GO:0016726 GO:0019877 GO:0050661 GO:0051287 GO:0055114
110.070.5284.240.100.673wybA GO:0008652 GO:0008839 GO:0009085 GO:0009089 GO:0016491 GO:0019877 GO:0047850 GO:0055114
120.070.5254.880.100.714mvjB GO:0006006 GO:0016491 GO:0016620 GO:0050661 GO:0051287 GO:0055114
130.060.3803.620.110.453e8xA GO:0000166
140.060.3806.770.030.654txgA GO:0004553 GO:0004568 GO:0005576 GO:0005975 GO:0006032 GO:0008152 GO:0016787 GO:0016798 GO:0030246
150.060.3097.030.050.553n5mA GO:0003824 GO:0008483 GO:0016740 GO:0030170
160.060.3093.870.060.392gt1A GO:0008152 GO:0008920 GO:0009244 GO:0016740 GO:0016757
170.060.2637.260.030.473ugtC 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
180.060.3017.040.070.521hfeL GO:0005506 GO:0008901 GO:0016491 GO:0042597 GO:0046872 GO:0051536 GO:0051539 GO:0055114
190.060.1726.080.040.271ojvA GO:0000139 GO:0001618 GO:0002376 GO:0005576 GO:0005886 GO:0005887 GO:0006888 GO:0006958 GO:0007204 GO:0008289 GO:0009986 GO:0016020 GO:0016032 GO:0030133 GO:0030449 GO:0031225 GO:0031664 GO:0033116 GO:0035743 GO:0045087 GO:0045121 GO:0045730 GO:0045916 GO:0046718 GO:0070062 GO:2000516 GO:2000563


Consensus prediction of GO terms
 
Molecular Function GO:0050661 GO:0051287 GO:0016726 GO:0008839 GO:0005515
GO-Score 0.70 0.70 0.70 0.70 0.36
Biological Processes GO:0009089 GO:0055114 GO:0019877
GO-Score 0.70 0.70 0.70
Cellular Component GO:0005829 GO:0030312 GO:0016020
GO-Score 0.51 0.51 0.38

(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.