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I-TASSER results for job id Rv0094c

[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
10.21 13 4qs5C 1DF Rep, Mult 4,15,60,61,146,167,171,271,274
20.13 8 2dvtA ZN Rep, Mult 5,7,146,271
30.03 2 3ij6B NA Rep, Mult 107,108,110,111,132
40.03 2 2vk6A MG Rep, Mult 232,284
50.01 1 2gblC MG Rep, Mult 273,283
60.01 1 1cq1B CA Rep, Mult 225,234
70.01 1 3nnfA FE Rep, Mult 138,242
80.01 1 1cq1A CA Rep, Mult 209,225,234
90.01 1 4yvlA TGK Rep, Mult 49,50,283
100.01 1 3howB NUC Rep, Mult 117,120,123
110.01 1 1kgzA MN Rep, Mult 110,253,256
120.01 1 1t8sA FMP Rep, Mult 183,184
130.01 1 2vhdA CA Rep, Mult 90,282,288

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
10.1202wm1A0.7293.850.0850.9054.1.1.45262
20.0662wjfA0.4904.620.0550.6783.1.3.48116
30.0602ftwA0.6214.340.0650.8233.5.2.2NA
40.0602p50A0.5664.330.0920.7453.5.1.25196
50.0601xrtA0.4404.880.0640.6313.5.2.3NA
60.0602ftyA0.6054.550.0530.8233.5.2.2197,198
70.0602oodA0.5445.010.0840.7763.5.4.3NA
80.0602i9uA0.5455.010.0800.7733.5.4.3NA
90.0602qt3A0.5485.210.0780.7953.5.99.4NA
100.0603lggA0.5494.900.0810.7733.5.4.4185
110.0603griB0.5624.890.0780.7853.5.2.3108
120.0601k1dA0.6234.380.0680.8303.5.2.-NA
130.0602qt3B0.5455.280.0820.7983.5.99.482,309
140.0602z26A0.5484.210.0730.7223.5.2.3NA
150.0603iv8D0.5644.320.0750.7453.5.1.25NA
160.0601nfgA0.6174.490.0920.8273.5.2.2NA
170.0602q01C0.5674.730.0890.7795.3.1.12164
180.0602zc1A0.5414.350.0720.7163.1.8.1NA
190.0602a3lA0.5544.900.0590.7893.5.4.6NA
200.0601itqA0.5794.240.0610.7603.4.13.19NA
210.0603egjA0.5634.430.0750.7483.5.1.25245

(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
00.340.7493.740.100.914icmA GO:0016787 GO:0046872
10.240.6823.500.090.833ij6A GO:0016787 GO:0046872
20.160.7903.450.110.954qroA GO:0016787 GO:0046872
30.160.7883.250.130.932dvtA GO:0016787 GO:0046872
40.150.7753.400.110.924qrnA GO:0016787 GO:0046872
50.140.7303.960.090.914ofcA GO:0001760 GO:0005829 GO:0006568 GO:0006569 GO:0008270 GO:0016787 GO:0016829 GO:0016831 GO:0046872 GO:0046874 GO:0051259 GO:0070062 GO:1904984 GO:1905004 GO:1905012
60.140.7344.050.070.924hk5D GO:0001760 GO:0006568 GO:0016787 GO:0046872 GO:1904984
70.130.7303.970.070.924hjwC GO:0001760 GO:0006568 GO:0016787 GO:0046872 GO:1904984
80.130.7293.380.090.872f6kA GO:0016787 GO:0046872
90.130.7193.780.110.894eraA GO:0001760 GO:0006568 GO:0016787 GO:0046872 GO:1904984
100.120.7154.370.090.934dziC GO:0016787
110.120.7313.220.100.863nurA GO:0016787
120.090.6464.000.090.812gwgA GO:0016787 GO:0046872
130.070.5904.370.100.783irsA GO:0016787
140.070.5673.750.070.713cjpA GO:0016787 GO:0046872
150.060.3765.940.050.602d5lA GO:0004177 GO:0006508 GO:0008233 GO:0008236 GO:0016787
160.060.4186.620.040.711bxrA GO:0000050 GO:0000166 GO:0003824 GO:0004087 GO:0004088 GO:0005524 GO:0005829 GO:0005951 GO:0006221 GO:0006526 GO:0006807 GO:0008652 GO:0016597 GO:0016874 GO:0019856 GO:0044205 GO:0046872
170.060.3276.010.060.523mzvB GO:0008299 GO:0016740
180.060.2846.660.040.473tt2A GO:0008080 GO:0016740


Consensus prediction of GO terms
 
Molecular Function GO:0016787 GO:0046872
GO-Score 0.70 0.70
Biological Processes
GO-Score
Cellular Component
GO-Score

(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.