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I-TASSER results for job id Rv0811c

[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
10.66 23 1wooA THG Rep, Mult 41,73,86,87,88,90,99,101,154,155,173,174,181,213,242,360
20.14 5 1worA RED Rep, Mult 210,213,214,217,225
30.04 2 2gagA FOA Rep, Mult 56,62,63,64,253,254
40.02 1 1v5v0 III Rep, Mult 50,53,54,57,79,80,84,103,106,107,110,111,114,115,231,256,257,258,259,260
50.02 1 1wopA FFO Rep, Mult 45,95,97,124,159,160,161,166,167,168,183

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
10.3273girA0.8682.070.1920.9322.1.2.10211,213
20.3131wsvA0.8692.140.1910.9382.1.2.1037,40,88,213
30.2891wopA0.8951.620.1970.9382.1.2.10213,220
40.0603gtgB0.3796.860.0660.6392.7.7.6NA
50.0601aorB0.3606.610.0480.5821.2.7.5153,175,178
60.0601pj6A0.8732.280.1750.9481.5.3.10NA
70.0601w36D0.3676.570.0850.5983.1.11.5NA
80.0602wk5A0.3747.320.0420.6632.4.2.4NA
90.0603gpbA0.3386.810.0480.5712.4.1.1224
100.0602wqdA0.3536.760.0350.5902.7.3.9211
110.0601vlbA0.3646.900.0560.6141.2.99.7NA
120.0602r7oA0.3595.840.0590.5352.7.7.4832,218,222
130.0601vloA0.8072.380.1950.8782.1.2.1040,88,176,220
140.0601zj9B0.3645.850.0700.5461.8.7.1NA
150.0602qllA0.3546.830.0250.5842.4.1.1NA
160.0603l76A0.4055.470.0720.5652.7.2.476,229
170.0601yx2B0.8502.100.1860.9182.1.2.1040,176,220
180.0601yq2A0.3896.860.0520.6523.2.1.23NA
190.0601fa9A0.3906.400.0450.6142.4.1.1NA
200.0601v5vA0.8702.380.1630.9462.1.2.10213
210.0601e1yA0.3976.560.0300.6362.4.1.1224
220.0601ygpA0.3816.770.0330.6302.4.1.1230,237

(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
00.340.8932.500.150.974pabB GO:0005542 GO:0005739 GO:0006579 GO:0016491 GO:0019695 GO:0035999 GO:0042426 GO:0047865 GO:0050660 GO:0055114
10.330.8322.420.130.913tfhA GO:0008168 GO:0016740 GO:0032259
20.320.8342.370.190.911vloA GO:0004047 GO:0005829 GO:0006546 GO:0008483 GO:0016740 GO:0019464 GO:0032259
30.310.8662.050.190.931yx2B GO:0004047 GO:0006546 GO:0008483 GO:0016740 GO:0019464 GO:0032259
40.300.8692.150.190.941wsrA GO:0004047 GO:0005739 GO:0005759 GO:0006546 GO:0008483 GO:0016740 GO:0019464 GO:0032259 GO:0046487
50.300.8941.650.190.941wooA GO:0004047 GO:0006546 GO:0008483 GO:0016740 GO:0019464 GO:0032259
60.260.8602.700.170.952gagA GO:0000166 GO:0008115 GO:0016491 GO:0046653 GO:0055114
70.250.8732.280.170.951pj6A GO:0000166 GO:0016491 GO:0047866 GO:0055114
80.250.8602.690.160.953ad7A GO:0000166 GO:0008115 GO:0016491 GO:0046653 GO:0055114
90.210.8682.070.190.933girA GO:0004047 GO:0006546 GO:0008483 GO:0016740 GO:0032259
100.190.8702.380.160.951v5vA GO:0004047 GO:0006546 GO:0008483 GO:0016740 GO:0019464 GO:0032259
110.060.3236.690.030.532z67A GO:0000049 GO:0003723 GO:0003824 GO:0006412 GO:0016740 GO:0016785 GO:0097056
120.060.3025.920.050.462iveA GO:0004729 GO:0005737 GO:0006779 GO:0006782 GO:0006783 GO:0016020 GO:0016491 GO:0055114
130.060.2876.690.070.483nksA GO:0004729 GO:0005739 GO:0005743 GO:0005758 GO:0006779 GO:0006782 GO:0006783 GO:0016020 GO:0016491 GO:0031304 GO:0031305 GO:0031966 GO:0042493 GO:0046501 GO:0050660 GO:0055114
140.060.3066.850.050.514ow6B GO:0005576 GO:0009405 GO:0016740 GO:0016757 GO:0047286
150.060.2727.140.010.483ldfA GO:0005737 GO:0006364 GO:0008168 GO:0016740 GO:0032259
160.060.2985.960.060.464wctA GO:0016491 GO:0055114
170.060.2926.540.040.465dbjC GO:0016491 GO:0016787 GO:0047651 GO:0055114
180.060.2796.240.060.434yshA GO:0016491 GO:0050660 GO:0055114


Consensus prediction of GO terms
 
Molecular Function GO:0004047 GO:0008483 GO:0005542 GO:0047865 GO:0050660
GO-Score 0.67 0.67 0.34 0.34 0.34
Biological Processes GO:0032259 GO:0019464 GO:0006579 GO:0055114 GO:0035999 GO:0042426 GO:0046487
GO-Score 0.78 0.67 0.34 0.34 0.34 0.34 0.30
Cellular Component GO:0005829 GO:0005759
GO-Score 0.32 0.30

(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.