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I-TASSER results for job id Rv0434

[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 2 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 4 2ane4 III Rep, Mult 13,14,15,16,17,26,27,30,31,52,56,57,58,82
20.06 3 5d57D 78M Rep, Mult 188,196,200
30.04 2 4il4B LSM Rep, Mult 204,208,211
40.04 2 4ecgA CA Rep, Mult 21,22
50.04 2 3kuwA FAH Rep, Mult 30,69,108
60.04 2 5dooA CA Rep, Mult 129,132
70.02 1 2fa1B BDF Rep, Mult 58,94
80.02 1 3fahA GOL Rep, Mult 170,174,198
90.02 1 2c41G CL Rep, Mult 133,137
100.02 1 3pg9A AZI Rep, Mult 94,129
110.02 1 4khoA CA Rep, Mult 126,129
120.02 1 2y04B 2CV Rep, Mult 137,138
130.02 1 3kdkA ZN Rep, Mult 27,30,175
140.02 1 4ub8h CLA Rep, Mult 198,201
150.02 1 2w4zC AMP Rep, Mult 85,94
160.02 1 2yl6A MG Rep, Mult 190,191,192

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
10.0601emsA0.3925.980.0550.7103.6.1.29NA
20.0603l4uA0.4075.650.0530.6873.2.1.20,3.2.1.348
30.0602uutA0.3945.570.0430.6773.6.1.15NA
40.0602g3mF0.4015.700.0630.6773.2.1.2036
50.0601m8pA0.4074.940.0570.6132.7.7.4176
60.0601jhdA0.3935.330.0570.6222.7.7.4NA
70.0603gzkA0.4045.900.0640.7013.2.1.4NA
80.0603cr8A0.4074.920.0730.6082.7.1.25184
90.0601bgxT0.3925.990.1050.7102.7.7.7NA
100.0601bxrA0.4205.570.0460.6966.3.5.57
110.0601a8hA0.3935.660.0520.6686.1.1.10NA
120.0601m56A0.4164.880.0670.6541.9.3.1NA
130.0601g87B0.4105.560.0510.6913.2.1.4NA
140.0603cdjA0.3675.940.0860.6682.7.7.8167,173,190
150.0601xmeA0.3945.780.0640.6961.9.3.1NA
160.0602e6kA0.3955.750.1150.6962.2.1.1NA
170.0601gw6A0.3945.870.0410.7143.3.2.6NA
180.0602aneG0.4880.970.1740.5023.4.21.5313,74
190.0602r8oB0.4045.960.0680.7242.2.1.1NA

(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
00.410.9260.580.150.943m65A GO:0000166 GO:0004176 GO:0004252 GO:0005524 GO:0005737 GO:0006508 GO:0006515 GO:0008233 GO:0008236 GO:0016787 GO:0016887 GO:0030163 GO:0033554 GO:0043565
10.240.5053.360.210.631zboB GO:0004176 GO:0006508
20.190.6243.050.140.743ljcA GO:0000166 GO:0003677 GO:0004176 GO:0004252 GO:0005524 GO:0005737 GO:0005829 GO:0006508 GO:0006515 GO:0008233 GO:0008236 GO:0009408 GO:0016787 GO:0016887 GO:0030163 GO:0033554 GO:0043565
30.070.4194.840.040.633o0rB GO:0004129 GO:0005506 GO:0005886 GO:0009055 GO:0009060 GO:0016020 GO:0016021 GO:0016491 GO:0016966 GO:0019333 GO:0020037 GO:0046872 GO:0055114 GO:0070469 GO:1902600
40.070.5944.210.140.785fqdB GO:0004176 GO:0005634 GO:0005730 GO:0005737 GO:0006508 GO:0016020 GO:0016567 GO:0031464 GO:0032463 GO:0034766 GO:0043161 GO:0046872 GO:0090073
50.070.5974.150.150.784ci2B GO:0004176 GO:0005634 GO:0005737 GO:0006508 GO:0016567 GO:0031464 GO:0043161 GO:0046872
60.060.3675.460.020.604ekzA GO:0000302 GO:0003756 GO:0004656 GO:0005178 GO:0005576 GO:0005783 GO:0005788 GO:0005793 GO:0005886 GO:0005925 GO:0006457 GO:0009897 GO:0016020 GO:0016222 GO:0016853 GO:0018401 GO:0019899 GO:0031012 GO:0034663 GO:0034976 GO:0042158 GO:0042470 GO:0044822 GO:0045454 GO:0046598 GO:0046982 GO:0070062 GO:0071456 GO:1902175
70.060.3185.730.040.534nl8A GO:0000166 GO:0003676 GO:0003677 GO:0004003 GO:0004386 GO:0005524 GO:0006260 GO:0006268 GO:0006269 GO:0008270 GO:0016787 GO:0032508 GO:0046872 GO:1990077
80.060.3355.420.050.535djqA GO:0004129 GO:0005506 GO:0005507 GO:0005886 GO:0005887 GO:0006119 GO:0009055 GO:0009060 GO:0015078 GO:0015990 GO:0015992 GO:0016020 GO:0016021 GO:0016491 GO:0016705 GO:0019411 GO:0019646 GO:0019825 GO:0020037 GO:0045154 GO:0045278 GO:0046872 GO:0055114 GO:0070069 GO:0070469 GO:0070470 GO:1902600
90.060.3974.740.040.604xydA GO:0004129 GO:0005506 GO:0009055 GO:0009060 GO:0016020 GO:0016021 GO:0016491 GO:0016966 GO:0020037 GO:0055114 GO:0070469 GO:1902600
100.060.3242.580.060.384yn0B GO:0001878 GO:0001967 GO:0003677 GO:0004867 GO:0005102 GO:0005615 GO:0005641 GO:0005737 GO:0005768 GO:0005790 GO:0005791 GO:0005794 GO:0005886 GO:0005905 GO:0005911 GO:0006378 GO:0006417 GO:0006468 GO:0006878 GO:0006897 GO:0006915 GO:0006979 GO:0007155 GO:0007176 GO:0007219 GO:0007399 GO:0007409 GO:0007617 GO:0007626 GO:0008088 GO:0008201 GO:0008203 GO:0008344 GO:0008542 GO:0009986 GO:0009987 GO:0010288 GO:0010466 GO:0010468 GO:0010951 GO:0010952 GO:0010971 GO:0016020 GO:0016021 GO:0016199 GO:0016322 GO:0016358 GO:0016504 GO:0019731 GO:0019732 GO:0019899 GO:0030134 GO:0030198 GO:0030414 GO:0030424 GO:0030426 GO:0030900 GO:0031175 GO:0031410 GO:0031594 GO:0033130 GO:0035235 GO:0035253 GO:0040014 GO:0042802 GO:0043005 GO:0043195 GO:0043197 GO:0043198 GO:0043231 GO:0043235 GO:0043393 GO:0044304 GO:0045087 GO:0045121 GO:0045177 GO:0045202 GO:0045665 GO:0045931 GO:0045944 GO:0046872 GO:0046914 GO:0048471 GO:0048669 GO:0050803 GO:0050829 GO:0050830 GO:0050885 GO:0051124 GO:0051233 GO:0051260 GO:0051402 GO:0051425 GO:0051563 GO:0070062 GO:0070851 GO:0071320 GO:0071874 GO:0097449 GO:1990000 GO:1990090 GO:1990761 GO:1990812
110.060.4824.930.050.743ayfA GO:0004129 GO:0005506 GO:0009055 GO:0009060 GO:0016020 GO:0016021 GO:0020037 GO:0046872 GO:0055114 GO:1902600
120.060.2745.400.030.454q5rA GO:0004364 GO:0016740
130.060.2214.550.040.323ox5A GO:0000139 GO:0004857 GO:0005509 GO:0005615 GO:0005737 GO:0005794 GO:0005856 GO:0005886 GO:0005938 GO:0008139 GO:0014069 GO:0016020 GO:0030054 GO:0042308 GO:0043086 GO:0045202 GO:0045211 GO:0046872 GO:0048306 GO:0048471
140.060.2785.380.040.432vcvA GO:0004364 GO:0005737 GO:0005829 GO:0006749 GO:0008152 GO:0016740 GO:0070062 GO:1901687
150.060.2536.780.030.503marA GO:0000287 GO:0004448 GO:0004450 GO:0005102 GO:0005737 GO:0005739 GO:0005777 GO:0005782 GO:0005829 GO:0005913 GO:0006097 GO:0006099 GO:0006102 GO:0006103 GO:0006740 GO:0006749 GO:0006979 GO:0008585 GO:0014070 GO:0016491 GO:0016616 GO:0042803 GO:0046872 GO:0048545 GO:0050661 GO:0051287 GO:0051990 GO:0055114 GO:0060696 GO:0070062 GO:0071071 GO:0098609 GO:0098641
160.060.2805.670.040.474i3kA GO:0000287 GO:0004448 GO:0004450 GO:0005102 GO:0005737 GO:0005739 GO:0005777 GO:0005782 GO:0005829 GO:0005913 GO:0006097 GO:0006099 GO:0006102 GO:0006103 GO:0006740 GO:0006749 GO:0006979 GO:0008585 GO:0014070 GO:0016491 GO:0016616 GO:0042803 GO:0046872 GO:0048545 GO:0050661 GO:0051287 GO:0051990 GO:0055114 GO:0060696 GO:0070062 GO:0071071 GO:0098609 GO:0098641
170.060.2164.370.030.301bg7A GO:0004322 GO:0005623 GO:0006826 GO:0006879 GO:0008199 GO:0016491 GO:0046872 GO:0055114
180.060.2456.280.030.461kgsA GO:0000160 GO:0003677 GO:0005622 GO:0006351 GO:0006355 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0004176 GO:0043565 GO:0004252 GO:0005524
GO-Score 0.66 0.52 0.52 0.52
Biological Processes GO:0033554 GO:0006515 GO:0009266
GO-Score 0.52 0.52 0.37
Cellular Component GO:0044444
GO-Score 0.37

(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.