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I-TASSER results for job id Rv1842c

[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
10.28 12 4iy0A ADP Rep, Mult 225,229,230,231,251,252,253,255,329,331,333,334
20.09 4 2ckjC FES Rep, Mult 67,70,71,73,78,79,80,81
30.07 3 2ckjD FES Rep, Mult 21,23,24,25,28,30,34
40.02 1 2ckjA FES Rep, Mult 64,66,69,71,76
50.02 1 2ckjB FES Rep, Mult 193,195,196,201,206

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
10.0601l5jA0.3397.760.0600.5894.2.1.3NA
20.0601mswD0.3147.430.0520.5252.7.7.6NA
30.0601g8kE0.3507.880.0450.6311.20.98.1NA
40.0603gpbA0.3517.330.0630.5822.4.1.1205
50.0601tmoA0.3417.540.0560.5871.7.2.3NA
60.0602zkmX0.3637.290.0630.6043.1.4.11NA
70.0601dgjA0.3507.470.0510.5891.2.-.-NA
80.0602x42A0.3407.560.0520.5873.2.1.21NA
90.0601n1hA0.3507.680.0370.6112.7.7.48NA
100.0601fa9A0.2997.270.0400.5012.4.1.1326
110.0602r7oA0.3667.650.0450.6402.7.7.48NA
120.0602rnpC0.3287.510.0430.5562.7.7.6NA
130.0603b9jC0.3077.170.0720.5031.17.3.2,1.17.1.4337
140.0601q16A0.3657.310.0310.6091.7.99.4NA
150.0601f60A0.3677.230.0490.6113.6.5.3NA
160.0601aroP0.2857.320.0340.4792.7.7.6NA
170.0601bxrA0.3427.770.0480.6046.3.5.5122
180.0603ikmD0.3516.950.0270.5692.7.7.781,122
190.0601t3tA0.3547.590.0520.6006.3.5.345

(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
00.250.4871.580.290.514hg0A GO:0003824 GO:0006810 GO:0016614 GO:0050660 GO:0055114
10.180.2742.260.280.293ocoA GO:0003824 GO:0016020 GO:0016021 GO:0016614 GO:0050660 GO:0055114
20.160.3212.070.300.343oi8A GO:0003824 GO:0016614 GO:0046872 GO:0050660 GO:0055114
30.160.2452.740.320.273i8nB GO:0016020 GO:0016021
40.160.2522.170.310.273lhhA GO:0000166 GO:0003824 GO:0016020 GO:0016021 GO:0016614 GO:0050660 GO:0055114
50.140.2561.930.310.273jtfB GO:0000166 GO:0003824 GO:0016614 GO:0050660 GO:0055114
60.120.2582.630.290.283lfrB GO:0000166 GO:0003824 GO:0016614 GO:0050660 GO:0055114
70.120.2482.530.260.273hf7A GO:0000166 GO:0003824 GO:0016020 GO:0016021 GO:0016614 GO:0050660 GO:0055114
80.120.2592.570.320.283lv9A GO:0003824 GO:0016020 GO:0016021 GO:0016614 GO:0050660 GO:0055114
90.120.2743.060.250.314iysA GO:0005886 GO:0006810 GO:0006811 GO:0010960 GO:0015693 GO:0016020 GO:0016021 GO:0016323
100.090.2622.800.250.294iy3C GO:0005886 GO:0006810 GO:0006811 GO:0007601 GO:0010960 GO:0015081 GO:0015095 GO:0015693 GO:0016020 GO:0016021 GO:0016323 GO:0031214 GO:0035725 GO:0050896 GO:0070166 GO:1903830
110.070.2853.320.230.333ocmA GO:0000166 GO:0003824 GO:0016020 GO:0016021 GO:0016614 GO:0050660 GO:0055114
120.060.3947.000.060.633qr0A GO:0004435 GO:0004871 GO:0005622 GO:0006629 GO:0007165 GO:0008081 GO:0016042 GO:0016787 GO:0035556 GO:0046872
130.060.3836.930.070.614gnkB GO:0003073 GO:0004435 GO:0004629 GO:0004871 GO:0005509 GO:0005516 GO:0005654 GO:0005829 GO:0005913 GO:0006629 GO:0006892 GO:0007165 GO:0007186 GO:0007223 GO:0007268 GO:0008081 GO:0016020 GO:0016042 GO:0016787 GO:0035556 GO:0042383 GO:0043234 GO:0043647 GO:0098609 GO:0098641
140.060.3637.290.060.602zkmX GO:0004435 GO:0004629 GO:0004871 GO:0005509 GO:0005737 GO:0005829 GO:0006629 GO:0006644 GO:0007165 GO:0007202 GO:0007223 GO:0008081 GO:0016042 GO:0016787 GO:0035556 GO:0043647 GO:0046872 GO:0050913
150.060.3337.100.030.541djgB GO:0004435 GO:0004871 GO:0005509 GO:0005543 GO:0005546 GO:0005634 GO:0005829 GO:0006629 GO:0007165 GO:0007186 GO:0008081 GO:0010044 GO:0010243 GO:0010701 GO:0016020 GO:0016042 GO:0016787 GO:0031966 GO:0032962 GO:0034696 GO:0035556 GO:0043434 GO:0045121 GO:0046872 GO:0051480 GO:0051482 GO:0051592 GO:0055093 GO:1900274
160.060.2816.190.100.404dqwA GO:0000166 GO:0003824 GO:0003938 GO:0005524 GO:0006164 GO:0006177 GO:0016491 GO:0046872 GO:0055114
170.060.2433.520.100.283lfzA
180.060.2297.660.040.402ahuA GO:0008152 GO:0008410 GO:0008775 GO:0016740 GO:0046459 GO:0046952 GO:0051289


Consensus prediction of GO terms
 
Molecular Function GO:0050660 GO:0016614 GO:0043169
GO-Score 0.57 0.57 0.33
Biological Processes GO:0055114 GO:0051234
GO-Score 0.57 0.50
Cellular Component GO:0016021
GO-Score 0.42

(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.