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I-TASSER results for job id Rv0318c

[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
10.09 3 3cwbC CDL Rep, Mult 40,254,257,258
20.06 2 1sqpC CDL Rep, Mult 2,5,6,190,193,194,197
30.06 2 3o32B MYY Rep, Mult 213,216,220
40.03 1 1swiC BNZ Rep, Mult 233,237
50.03 1 3dugA ZN Rep, Mult 238,264
60.03 1 1pprM PID Rep, Mult 218,222
70.03 1 2pnqA MG Rep, Mult 137,138
80.03 1 3v5uA MYS Rep, Mult 245,248,249
90.03 1 1xmeC HAS Rep, Mult 155,159
100.03 1 5hxcA MYC Rep, Mult 156,157,160,262
110.03 1 1yq9H H2S Rep, Mult 10,204,213
120.03 1 3h1jC CDL Rep, Mult 35,39,159,163,166,167
130.03 1 3iprA CA Rep, Mult 137,156

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
10.0601hwxA0.3895.750.0450.6211.4.1.3NA
20.0603ikmD0.3965.860.0450.6552.7.7.740,182
30.0601gowA0.3905.980.0440.6363.2.1.23NA
40.0602uxwA0.3815.370.0730.5801.3.99.-138
50.0603a47A0.3935.640.0580.6213.2.1.10NA
60.0601h2rL0.3935.900.0440.6551.12.2.164
70.0601cp9B0.3946.070.0470.6703.5.1.11NA
80.0602z8kC0.3076.470.0580.5422.3.2.269,72,189,224,228
90.0603cxhN0.4395.340.0580.7051.10.2.281
100.0602fhcA0.3905.860.0650.6513.2.1.41191,230
110.0601izjA0.3835.960.0710.6363.2.1.135,3.2.1.1NA
120.0601qleC0.4455.040.0690.6591.9.3.1NA
130.0603g61A0.4495.790.0700.7583.6.3.44NA
140.0601yrqI0.4016.180.0380.6971.12.2.1NA
150.0603dwcB0.3906.060.0590.6593.4.17.1944
160.0603etdA0.3865.590.0650.6141.4.1.332
170.0601w4xA0.3886.100.0550.6551.14.13.92NA
180.0601yrlC0.3845.910.0520.6291.1.1.8625,162
190.0602vr5A0.3835.730.0680.6143.2.1.-NA

(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
00.300.9072.130.100.994kjrA GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0006812 GO:0006816 GO:0008324 GO:0015297 GO:0015369 GO:0016020 GO:0016021 GO:0055085 GO:0070588
10.200.8652.650.130.994k1cA GO:0000324 GO:0000329 GO:0005773 GO:0005774 GO:0006810 GO:0006811 GO:0006812 GO:0006816 GO:0006828 GO:0006874 GO:0008324 GO:0015085 GO:0015369 GO:0015386 GO:0016020 GO:0016021 GO:0046872 GO:0055085 GO:0070588 GO:0071805 GO:0098655
20.160.7923.090.100.954kppA GO:0016020 GO:0016021 GO:0046872 GO:0055085
30.140.7113.530.090.885hwyA GO:0005262 GO:0005509 GO:0005886 GO:0005887 GO:0006874 GO:0008273 GO:0016020 GO:0016021 GO:0030955 GO:0031402 GO:0035725 GO:0055085 GO:0070588
40.140.4475.080.070.693cwbC GO:0005739 GO:0005743 GO:0006122 GO:0008121 GO:0009055 GO:0016020 GO:0016021 GO:0016491 GO:0022904 GO:0045275 GO:0046872 GO:0055114 GO:0070469 GO:1902600
50.070.3284.640.080.462e74A GO:0005506 GO:0009055 GO:0009579 GO:0015979 GO:0016020 GO:0016021 GO:0016491 GO:0020037 GO:0022900 GO:0022904 GO:0042651 GO:0045158 GO:0046872 GO:0055114
60.070.5065.070.070.755j65A GO:0030435
70.070.4235.610.070.692yiuA GO:0005886 GO:0006122 GO:0008121 GO:0009055 GO:0016020 GO:0016021 GO:0016491 GO:0022904 GO:0045275 GO:0046872 GO:0055114 GO:0070469 GO:1902600
80.070.4565.580.090.724mlbB GO:0006855 GO:0015238 GO:0015297 GO:0016020 GO:0016021 GO:0055085
90.070.4705.440.070.733vvpA GO:0006855 GO:0015238 GO:0015297 GO:0016020 GO:0016021 GO:0055085
100.070.4555.400.090.715c6nA GO:0006855 GO:0015238 GO:0015297 GO:0016020 GO:0016021 GO:0055085
110.060.3426.180.080.584z3nA GO:0006855 GO:0015238 GO:0015297 GO:0016020 GO:0016021 GO:0055085
120.060.4165.750.060.691zrtC GO:0005886 GO:0006122 GO:0008121 GO:0009055 GO:0016020 GO:0016021 GO:0016491 GO:0022904 GO:0045275 GO:0046872 GO:0055114 GO:0070469 GO:1902600
130.060.2286.610.050.413ic1A GO:0005829 GO:0006508 GO:0008152 GO:0008237 GO:0008270 GO:0008652 GO:0009014 GO:0009085 GO:0009089 GO:0016787 GO:0019877 GO:0043171 GO:0046872 GO:0050897 GO:0070573
140.060.4515.270.060.711be3C GO:0005739 GO:0005743 GO:0006122 GO:0008121 GO:0009055 GO:0016020 GO:0016021 GO:0016491 GO:0022904 GO:0045275 GO:0046872 GO:0055114 GO:0070469 GO:1902600
150.060.3334.210.040.451q90B GO:0005506 GO:0009055 GO:0009507 GO:0009535 GO:0009536 GO:0009579 GO:0015979 GO:0016020 GO:0016021 GO:0016491 GO:0020037 GO:0022900 GO:0022904 GO:0045158 GO:0046872 GO:0055114
160.060.4395.340.060.703cx5C GO:0005739 GO:0005743 GO:0005750 GO:0006122 GO:0008121 GO:0009055 GO:0009060 GO:0016020 GO:0016021 GO:0016491 GO:0022904 GO:0045153 GO:0045275 GO:0046872 GO:0055114 GO:0070469 GO:1902600
170.060.3556.320.040.611w07B GO:0000062 GO:0001676 GO:0003995 GO:0003997 GO:0005777 GO:0005829 GO:0006629 GO:0006631 GO:0006635 GO:0008152 GO:0009055 GO:0009506 GO:0009611 GO:0009620 GO:0009695 GO:0016491 GO:0016627 GO:0033539 GO:0046686 GO:0050660 GO:0052890 GO:0055088 GO:0055114
180.060.4205.930.100.702fynA GO:0005886 GO:0006122 GO:0008121 GO:0009055 GO:0016020 GO:0016021 GO:0016491 GO:0022904 GO:0045275 GO:0046872 GO:0055114 GO:0070469 GO:1902600


Consensus prediction of GO terms
 
Molecular Function GO:0015369 GO:0046872 GO:0022821 GO:0005451
GO-Score 0.44 0.42 0.40 0.40
Biological Processes GO:0070588 GO:0000041 GO:0071804 GO:0006874
GO-Score 0.52 0.40 0.40 0.31
Cellular Component GO:0098852 GO:0000324 GO:0005887
GO-Score 0.40 0.40 0.40

(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.