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I-TASSER results for job id Rv0376c

[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
10.08 5 2vq3A NAP Rep, Mult 202,203,204,205,206,225,226,269,270,271,273,293,294,295,330,332,333
20.06 4 2hbkA MN Rep, Mult 225,276
30.06 4 2ckjC FES Rep, Mult 327,328,329,331,337,338,339,340
40.06 4 1fo4A FES Rep, Mult 45,46,47,74,75,80,84
50.05 3 4oxdA MG Rep, Mult 296,299
60.03 2 1cqpA 803 Rep, Mult 197,266,290,340,345
70.03 2 4eneA DMU Rep, Mult 340,344
80.02 1 2ia5A SO4 Rep, Mult 227,270,320
90.02 1 3lu2B ZN Rep, Mult 271,276
100.02 1 2c6cA ZN Rep, Mult 271,272,314
110.02 1 1lqkA MN Rep, Mult 271,335
120.02 1 4dwqA MN Rep, Mult 83,271,364
130.02 1 1xcbA NAD Rep, Mult 209,210,213,330
140.02 1 3cisB MG Rep, Mult 225,340

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
10.0601sy7A0.4295.730.0790.6161.11.1.6NA
20.0602d5nD0.3826.420.0610.6081.1.1.193,3.5.4.26199,269
30.0601vj5A0.3765.850.0340.5553.3.2.10,3.3.2.3NA
40.0601peuA0.3886.460.0820.6321.17.4.1NA
50.0602w5fB0.3946.170.0300.6083.2.1.8NA
60.0603gh4A0.4025.900.0480.6053.2.1.52NA
70.0602iufA0.4076.660.0820.6581.11.1.6NA
80.0602vroB0.4156.280.0700.6531.2.1.3NA
90.0602nlkA0.3826.370.0410.6033.1.3.48261
100.0601iphA0.4165.930.0450.6161.11.1.6333
110.0602jjdF0.3996.640.0440.6453.1.3.48NA
120.0603ju8A0.3936.330.0870.6131.2.1.71NA
130.0603b9jJ0.2756.220.0540.4321.17.1.4,1.17.3.2226
140.0603jz4A0.3936.410.0860.6261.2.1.16206
150.0602fh7A0.3876.360.0510.6053.1.3.48261
160.0601xzpA0.4215.560.0630.5973.6.5.-NA
170.0603la4A0.3916.880.0580.6583.5.1.5NA
180.0601sy7B0.4255.810.0710.6261.11.1.6223,339
190.0601itkB0.3896.190.0500.6081.11.1.6,1.11.1.7NA

(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
00.060.4295.730.080.621sy7A GO:0004096 GO:0004601 GO:0005576 GO:0005618 GO:0005619 GO:0005829 GO:0006979 GO:0016491 GO:0020037 GO:0042542 GO:0042744 GO:0046872 GO:0048315 GO:0055114 GO:0098869
10.060.3926.730.060.655bv2P GO:0004096 GO:0004601 GO:0005506 GO:0005737 GO:0005829 GO:0006972 GO:0006974 GO:0006979 GO:0016491 GO:0020037 GO:0042542 GO:0042744 GO:0042802 GO:0046872 GO:0055114 GO:0098869
20.060.4066.580.060.652xf2A GO:0004096 GO:0004601 GO:0006979 GO:0016491 GO:0020037 GO:0042744 GO:0046872 GO:0055114 GO:0098869
30.060.4125.910.100.614aj9C GO:0004096 GO:0004601 GO:0005829 GO:0006979 GO:0016491 GO:0020037 GO:0042542 GO:0042744 GO:0046872 GO:0055114 GO:0098869
40.060.2637.110.010.461u0bB GO:0000166 GO:0004812 GO:0004817 GO:0005524 GO:0005737 GO:0005829 GO:0006412 GO:0006418 GO:0006423 GO:0008270 GO:0016874 GO:0046872
50.060.2866.910.070.494b7fA GO:0004096 GO:0004601 GO:0006979 GO:0016491 GO:0020037 GO:0046872 GO:0055114 GO:0098869
60.060.2576.690.080.422pyxA GO:0000166 GO:0016491 GO:0055114
70.060.2366.830.020.391gweA GO:0004096 GO:0004601 GO:0005737 GO:0006979 GO:0016491 GO:0020037 GO:0042744 GO:0046872 GO:0055114 GO:0098869
80.060.2744.010.080.343l18A GO:0006508 GO:0008233 GO:0016798
90.060.2673.750.100.331g2iA GO:0005737 GO:0006508 GO:0008233 GO:0016787 GO:0016798
100.060.2607.080.050.441m7sA GO:0004096 GO:0004601 GO:0006979 GO:0016491 GO:0020037 GO:0042597 GO:0042744 GO:0046872 GO:0055114 GO:0098869
110.060.2844.290.060.362vrnA GO:0006508 GO:0008233 GO:0016798 GO:0019172 GO:0019243 GO:0019249 GO:0046872
120.060.4086.470.090.644b2yA GO:0004096 GO:0004601 GO:0006979 GO:0016491 GO:0020037 GO:0042744 GO:0046872 GO:0055114 GO:0098869
130.060.2717.280.030.471a4eA GO:0000302 GO:0001315 GO:0004096 GO:0004601 GO:0005759 GO:0005777 GO:0005782 GO:0006979 GO:0016491 GO:0020037 GO:0042542 GO:0042744 GO:0046872 GO:0055114 GO:0098869
140.060.2496.730.030.415akrA GO:0005507 GO:0006807 GO:0016491 GO:0019333 GO:0042128 GO:0042597 GO:0046872 GO:0050421 GO:0055114
150.060.2753.610.100.331ba2A GO:0005886 GO:0006810 GO:0006935 GO:0008643 GO:0015145 GO:0015749 GO:0016020 GO:0016021 GO:0030288 GO:0042597
160.060.2444.160.080.313ozcA GO:0003824 GO:0004645 GO:0005634 GO:0005737 GO:0005829 GO:0006139 GO:0006166 GO:0006738 GO:0009116 GO:0016740 GO:0016757 GO:0016763 GO:0017061 GO:0019509 GO:0032259 GO:0033574 GO:0043101 GO:0070062
170.060.2467.310.040.442isaA GO:0004096 GO:0004601 GO:0006979 GO:0016491 GO:0020037 GO:0042744 GO:0046872 GO:0055114 GO:0098869
180.060.1983.720.060.241i1nA GO:0004719 GO:0005737 GO:0005783 GO:0005829 GO:0005913 GO:0006464 GO:0006479 GO:0008168 GO:0016740 GO:0030091 GO:0032259 GO:0070062 GO:0098609 GO:0098641 GO:1903561


Consensus prediction of GO terms
 
Molecular Function GO:0043169 GO:0016209 GO:0046906 GO:0016684
GO-Score 0.57 0.47 0.47 0.47
Biological Processes GO:0044248 GO:1990748 GO:0042743 GO:0044710 GO:0000302 GO:0010035
GO-Score 0.47 0.47 0.47 0.47 0.36 0.36
Cellular Component GO:0044444
GO-Score 0.47

(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.