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I-TASSER results for job id Rv2409c

[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
10.07 4 3mbgA ZN Rep, Mult 176,180
20.05 3 5ajbB FUC Rep, Mult 223,227
30.05 3 2f4oA III Rep, Mult 153,162,174,175,176,217,218
40.04 2 3np2X PLL Rep, Mult 187,192,193
50.04 2 5d63A III Rep, Mult 153,174,175,176,216,217,245
60.04 2 2h8pC GOA Rep, Mult 198,199
70.04 2 4ej7A CA Rep, Mult 234,250
80.04 2 1x3zA SUC Rep, Mult 152,216,217,234
90.02 1 2y04B 2CV Rep, Mult 183,184
100.02 1 1l9nA CA Rep, Mult 167,172,173,174,177
110.02 1 1btgB ZN Rep, Mult 217,231
120.02 1 3hiaC PC Rep, Mult 219,227
130.02 1 1g0dA SO4 Rep, Mult 106,194,227
140.02 1 1l9nB CA Rep, Mult 196,216,217,254
150.02 1 1ea0A F3S Rep, Mult 164,165,166,167,170,171,174,179
160.02 1 2vdcA F3S Rep, Mult 157,158,159,160,161,162,174,175

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
10.0601ahpA0.3706.400.0370.6422.4.1.1NA
20.0603cf4A0.4276.020.0520.7061.2.99.2166
30.0601e1yA0.3386.910.0610.6562.4.1.1NA
40.0602w68C0.2296.140.0470.3803.2.1.1872
50.0602z8yD0.4016.290.0460.6921.2.7.4,1.2.99.2NA
60.0601jqkF0.3916.140.0610.6631.2.99.2143,147
70.0601myrA0.3705.970.0500.6173.2.1.147NA
80.0601gx3A0.4053.890.0960.5092.3.1.5175,217
90.0601ea0A0.3376.230.0530.5661.4.1.13NA
100.0602ijaA0.4024.230.1240.5162.3.1.5175,217,231
110.0602c4mC0.3666.650.0550.6562.4.1.1252
120.0602v4wD0.3656.120.0360.6202.3.3.10174
130.0603gpbA0.3676.510.0410.6452.4.1.1NA
140.0602azdB0.3676.570.0360.6522.4.1.1NA
150.0601jqnA0.3776.200.0550.6454.1.1.31NA
160.0601g0dA0.5153.910.0970.6272.3.2.13175,217,231
170.0602vdcF0.3985.950.0240.6561.4.1.13NA
180.0601ileA0.3755.790.0280.6026.1.1.5173
190.0602jf6B0.3665.820.0350.5953.2.1.105150

(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
00.430.9091.280.170.943isrB GO:0006508 GO:0008233
10.110.5083.860.100.621f13A GO:0002576 GO:0003810 GO:0005576 GO:0005737 GO:0007596 GO:0007599 GO:0016740 GO:0016746 GO:0018149 GO:0031093 GO:0042060 GO:0046872 GO:0072562
20.070.5113.850.090.631l9mB GO:0003810 GO:0003824 GO:0005509 GO:0005737 GO:0006464 GO:0016740 GO:0016746 GO:0018149 GO:0030216 GO:0031069 GO:0031234 GO:0031424 GO:0043163 GO:0046872 GO:0051262 GO:0070062
30.070.5153.910.100.631g0dA GO:0003810 GO:0016740 GO:0016746 GO:0018149 GO:0046872
40.070.3065.880.050.492q3zA GO:0003810 GO:0005737 GO:0005739 GO:0005783 GO:0005829 GO:0005925 GO:0007200 GO:0016740 GO:0016746 GO:0018149 GO:0031012 GO:0031226 GO:0032471 GO:0043065 GO:0043277 GO:0045785 GO:0046872 GO:0051561 GO:0060445 GO:0060662 GO:0070062
50.070.4494.200.100.563s3sA GO:0003810 GO:0005737 GO:0005739 GO:0005783 GO:0005829 GO:0005925 GO:0007200 GO:0016740 GO:0016746 GO:0018149 GO:0031012 GO:0031226 GO:0032471 GO:0043065 GO:0043277 GO:0045785 GO:0046872 GO:0051561 GO:0060445 GO:0060662 GO:0070062
60.060.2556.510.060.443jct4 GO:0000055 GO:0005634 GO:0005654 GO:0005730 GO:0005737 GO:0006508 GO:0008233 GO:0008237 GO:0016787 GO:0022625 GO:0030687 GO:0046872
70.060.3196.240.060.554r2bA GO:0005215 GO:0006810
80.060.3116.920.060.594pygA GO:0003810 GO:0005737 GO:0005739 GO:0005783 GO:0005829 GO:0005925 GO:0007200 GO:0016740 GO:0016746 GO:0018149 GO:0031012 GO:0031226 GO:0032471 GO:0043065 GO:0043277 GO:0045785 GO:0046872 GO:0051561 GO:0060445 GO:0060662 GO:0070062
90.060.2826.680.020.524aw6A GO:0004222 GO:0005634 GO:0005637 GO:0005783 GO:0005789 GO:0006508 GO:0006998 GO:0008233 GO:0008235 GO:0008237 GO:0016020 GO:0016021 GO:0016787 GO:0030327 GO:0046872 GO:0070062 GO:0071586
100.060.2676.670.040.483czmB GO:0003824 GO:0004459 GO:0005975 GO:0016491 GO:0016616 GO:0019752 GO:0055114
110.060.2636.200.070.452p1gB GO:0008152 GO:0016787 GO:0016798 GO:0045493
120.060.2645.280.040.412jzxA GO:0000398 GO:0002376 GO:0003676 GO:0003677 GO:0003723 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0005925 GO:0010467 GO:0016020 GO:0016071 GO:0019899 GO:0030529 GO:0031625 GO:0032480 GO:0039694 GO:0043161 GO:0044822 GO:0045087 GO:0050687 GO:0051607 GO:0070062 GO:0075522
130.060.2676.450.060.474mwaF GO:0003824 GO:0005506 GO:0008299 GO:0016114 GO:0016491 GO:0019288 GO:0044237 GO:0046429 GO:0046872 GO:0051536 GO:0051539 GO:0055114
140.060.2686.040.050.442xu2A GO:0003824 GO:0005975
150.060.2545.580.080.392r01A GO:0000166 GO:0016491 GO:0046872 GO:0055114
160.060.2195.250.040.332l9cA GO:0000772 GO:0005009 GO:0005186 GO:0005215 GO:0005550 GO:0005576 GO:0005615 GO:0005634 GO:0005829 GO:0006112 GO:0006810 GO:0008286 GO:0008355 GO:0009060 GO:0010628 GO:0010888 GO:0010907 GO:0031649 GO:0036094 GO:0042593 GO:0045475 GO:0045721 GO:0045834 GO:0045892 GO:0051055 GO:0051897 GO:0061179 GO:0070584 GO:0071396
170.060.2215.350.040.342vj5A GO:0005576 GO:0006810 GO:0009306 GO:0009405 GO:0009986 GO:0019867 GO:0030254 GO:0043657 GO:0046903 GO:0050709
180.060.2054.910.030.303pu6A GO:0006508 GO:0008047 GO:0008233 GO:0043085


Consensus prediction of GO terms
 
Molecular Function GO:0016755 GO:0043169 GO:0008233
GO-Score 0.56 0.56 0.43
Biological Processes GO:0006464 GO:0006508
GO-Score 0.56 0.43
Cellular Component GO:0044424
GO-Score 0.46

(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.