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I-TASSER results for job id Rv2143

[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
10.25 10 3lpnA SO4 Rep, Mult 132,270,271,272,274
20.24 12 1dkuB ABM Rep, Mult 132,133,135,137,168
30.04 2 1dkuB AP2 Rep, Mult 136,137,138,141,142
40.02 1 3dahC PO4 Rep, Mult 94,96
50.02 1 3mbiA ADP Rep, Mult 132,133,139,168,232,234

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
10.2763dahC0.6932.920.1230.7872.7.6.1211
20.1181dkrB0.6902.940.1320.7872.7.6.1NA
30.0601gdhA0.4704.600.0900.6361.1.1.29NA
40.0602j6iA0.4745.320.0980.6791.2.1.2299,302
50.0601dxhA0.4645.720.0760.7072.1.3.3266
60.0602nadA0.4595.490.0830.6761.2.1.2NA
70.0602gsdA0.4585.590.0750.6821.2.1.43NA
80.0601u9zC0.6582.550.1240.7302.7.6.1NA
90.0601edzA0.4645.550.0720.6761.5.1.15NA
100.0603d64B0.4895.490.0680.7223.3.1.1192,268
110.0601acmA0.4675.900.0860.7162.1.3.2NA
120.0602dldA0.4824.610.0950.6531.1.1.28NA
130.0601j49A0.4904.450.0830.6511.1.1.28NA
140.0601at1A0.4695.900.0900.7192.1.3.2NA
150.0602h06B0.6942.730.1120.7842.7.6.1NA
160.0601a7aA0.4675.720.0620.7053.3.1.1NA
170.0603gg9A0.4904.900.0910.6821.1.1.95NA
180.0603csuA0.4625.570.1080.6852.1.3.2NA
190.0603e2pA0.4725.740.0760.7102.1.3.2NA
200.0601v8bA0.4765.570.0720.7053.3.1.1NA
210.0603h9uC0.4705.750.0790.7073.3.1.1235

(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
00.280.6932.920.120.793dahC GO:0000166 GO:0000287 GO:0004749 GO:0005524 GO:0005737 GO:0006015 GO:0009156 GO:0009165 GO:0016301 GO:0016310 GO:0016740 GO:0044249 GO:0046872
10.280.6972.810.140.794s2uA GO:0000166 GO:0000287 GO:0004749 GO:0005524 GO:0005737 GO:0005829 GO:0006015 GO:0009156 GO:0009165 GO:0016301 GO:0016310 GO:0016740 GO:0042301 GO:0044249 GO:0046872
20.260.6582.570.120.731u9yA GO:0000166 GO:0000287 GO:0004749 GO:0005524 GO:0005737 GO:0006015 GO:0009116 GO:0009156 GO:0009165 GO:0016301 GO:0016310 GO:0016740 GO:0046872
30.250.6812.520.150.762ji4A GO:0000287 GO:0002189 GO:0004749 GO:0004857 GO:0006139 GO:0009165 GO:0043086 GO:0043234 GO:0060348
40.240.6842.830.130.773mbiA GO:0000166 GO:0000287 GO:0004749 GO:0005524 GO:0005737 GO:0006015 GO:0009116 GO:0009156 GO:0009165 GO:0016301 GO:0016310 GO:0016740 GO:0046872
50.230.6722.470.130.744twbA GO:0000166 GO:0000287 GO:0004749 GO:0005524 GO:0005737 GO:0006015 GO:0009116 GO:0009156 GO:0009165 GO:0016301 GO:0016310 GO:0016740 GO:0046872
60.200.6962.810.110.794lygB GO:0000166 GO:0000287 GO:0002189 GO:0004749 GO:0005524 GO:0005829 GO:0006015 GO:0006144 GO:0006164 GO:0006167 GO:0006221 GO:0007399 GO:0009156 GO:0009165 GO:0016208 GO:0016301 GO:0016310 GO:0016740 GO:0019003 GO:0019693 GO:0030246 GO:0031100 GO:0034418 GO:0042803 GO:0043234 GO:0043531 GO:0044249 GO:0046101 GO:0046872
70.180.6962.660.140.782c4kA GO:0000287 GO:0002189 GO:0004749 GO:0004857 GO:0006139 GO:0009165 GO:0019900 GO:0030234 GO:0033673 GO:0043234
80.140.3583.950.170.441oreA GO:0002055 GO:0003999 GO:0005654 GO:0005737 GO:0005829 GO:0006166 GO:0006168 GO:0007595 GO:0007625 GO:0009116 GO:0016208 GO:0016740 GO:0016757 GO:0032869 GO:0043101 GO:0044209 GO:0046083 GO:0070062
90.090.6902.940.130.791dkrB GO:0000166 GO:0000287 GO:0004749 GO:0005524 GO:0005737 GO:0006015 GO:0009156 GO:0009165 GO:0016301 GO:0016310 GO:0016740 GO:0044249 GO:0046872
100.090.3744.140.110.471jlrA GO:0000166 GO:0003824 GO:0004845 GO:0005525 GO:0008152 GO:0016740 GO:0016757 GO:0044206
110.060.3724.160.120.471mzvA GO:0000166 GO:0003999 GO:0009116 GO:0016740 GO:0016757
120.060.3664.280.100.464rv4B GO:0000287 GO:0004588 GO:0006221 GO:0009116 GO:0016740 GO:0016757 GO:0044205
130.060.3504.650.080.462wnsB GO:0003824 GO:0004588 GO:0004590 GO:0005634 GO:0005737 GO:0005829 GO:0006207 GO:0006221 GO:0006222 GO:0007565 GO:0007595 GO:0008152 GO:0009116 GO:0016740 GO:0016757 GO:0016829 GO:0016831 GO:0035690 GO:0044205 GO:0046134
140.060.3523.890.140.434lzaB GO:0003999 GO:0005737 GO:0006166 GO:0006168 GO:0009116 GO:0016740 GO:0016757 GO:0044209
150.060.3454.130.070.434pawA GO:0000287 GO:0004588 GO:0006221 GO:0009116 GO:0016740 GO:0016757 GO:0019856 GO:0044205
160.060.3433.570.120.411o5oA GO:0000166 GO:0000287 GO:0003824 GO:0004845 GO:0004849 GO:0005525 GO:0005829 GO:0006206 GO:0006223 GO:0008152 GO:0008655 GO:0016740 GO:0016757 GO:0043097 GO:0044206
170.060.3444.040.110.421i5eA GO:0000166 GO:0000287 GO:0003824 GO:0004845 GO:0005525 GO:0006223 GO:0008152 GO:0008655 GO:0016740 GO:0016757 GO:0044206
180.060.3254.160.120.412vfaB GO:0000166 GO:0000287 GO:0000310 GO:0001975 GO:0004422 GO:0005737 GO:0005829 GO:0006164 GO:0006166 GO:0006168 GO:0006178 GO:0007625 GO:0007626 GO:0009116 GO:0016740 GO:0016757 GO:0019835 GO:0021756 GO:0021895 GO:0021954 GO:0032263 GO:0032264 GO:0032265 GO:0042417 GO:0042802 GO:0042803 GO:0043101 GO:0043103 GO:0045964 GO:0046038 GO:0046040 GO:0046083 GO:0046100 GO:0046651 GO:0046872 GO:0048813 GO:0051289 GO:0052657 GO:0070062


Consensus prediction of GO terms
 
Molecular Function GO:0004749 GO:0000287 GO:0016301 GO:0005524 GO:0043168 GO:0030234
GO-Score 0.79 0.79 0.71 0.71 0.57 0.50
Biological Processes GO:0009165 GO:0016310 GO:0006015 GO:0009156 GO:0044092 GO:0001501 GO:0050790 GO:0048513 GO:0009116
GO-Score 0.79 0.71 0.71 0.71 0.50 0.50 0.50 0.50 0.44
Cellular Component GO:0044444 GO:0061695
GO-Score 0.57 0.50

(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.