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I-TASSER results for job id Rv3856c

[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
10.63 41 3qy6A FE Rep, Mult 101,103,133,172,292,294
20.35 23 3e38A ZN Rep, Mult 108,133,294
30.22 17 3dcpC FE Rep, Mult 133,172,199,227
40.02 3 3au2A DGT Rep, Mult 12,13,14,15,17
50.02 3 3auoB NUC Rep, Mult 12,23,27,28,32,33,35,36,88

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
10.1943dcpA0.5403.130.1670.6243.1.3.15133,192,226,287,292
20.1801v77A0.4773.320.0580.5673.1.26.5193,223,266
30.0671xrtA0.4835.320.0910.6843.5.2.3291,292
40.0672wjfA0.5193.820.1370.6543.1.3.48167
50.0602gq3A0.5264.990.0470.7312.3.3.9NA
60.0602a3lA0.5085.000.0890.7133.5.4.6NA
70.0601ie7C0.5175.280.1040.7313.5.1.5294
80.0601j5sA0.5124.510.0820.6935.3.1.12292
90.0601onxA0.5124.650.0840.6903.4.19.-292
100.0601a5lC0.5214.960.0830.7163.5.1.5NA
110.0602uz9A0.5194.990.0720.7133.5.4.3308
120.0601e9yB0.5185.100.1080.7193.5.1.5NA
130.0602gokA0.5085.050.1360.6933.5.2.7292
140.0603iv8D0.5304.610.1320.6963.5.1.25242
150.0601qbaA0.5185.320.0740.7433.2.1.52194
160.0601vbgA0.5334.830.0530.7432.7.9.1NA
170.0602p50A0.5344.530.1360.6963.5.1.25NA
180.0603d6nA0.5224.800.1090.7133.5.2.3NA
190.0602ftwA0.5125.370.0770.7343.5.2.2292
200.0601kraC0.5225.010.0860.7193.5.1.5109,115
210.0602puzA0.4845.030.0690.6783.5.2.7299
220.0602g3fA0.5214.300.0940.6723.5.2.7267

(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
00.560.7652.250.340.812w9mB GO:0003677 GO:0003824 GO:0003887 GO:0006260 GO:0006281 GO:0046872 GO:0071897
10.480.6032.230.260.661pb0A GO:0003677 GO:0003824 GO:0003887 GO:0005829 GO:0006260 GO:0008270 GO:0016311 GO:0016787 GO:0016791 GO:0042578 GO:0046872 GO:0071897 GO:0071978
20.470.5892.720.200.662yxoB GO:0000105 GO:0003677 GO:0003824 GO:0003887 GO:0004401 GO:0006260 GO:0016311 GO:0016787 GO:0046872 GO:0071897
30.450.7553.150.290.853au2A GO:0003677 GO:0003824 GO:0003887 GO:0006260 GO:0006281 GO:0046872 GO:0071897
40.380.4474.280.150.573o0fA GO:0000166 GO:0003677 GO:0003824 GO:0003887 GO:0006260 GO:0016787 GO:0046872 GO:0071897
50.210.4963.430.100.593wyzA GO:0001682 GO:0003824 GO:0004518 GO:0004519 GO:0004526 GO:0004540 GO:0005737 GO:0008033 GO:0016787 GO:0030677 GO:0090305 GO:0090501 GO:0090502
60.130.4933.330.070.592czvA GO:0001682 GO:0003824 GO:0004518 GO:0004519 GO:0004526 GO:0004540 GO:0005737 GO:0008033 GO:0016787 GO:0030677 GO:0090305 GO:0090501 GO:0090502
70.070.4985.610.060.744s3kA GO:0004553 GO:0004568 GO:0005975 GO:0006032 GO:0008152 GO:0016787 GO:0016798
80.060.4254.290.070.562a21A GO:0003824 GO:0005737 GO:0008152 GO:0008676 GO:0009058 GO:0009103 GO:0016740 GO:0019294
90.060.3086.030.070.483ew9A GO:0000166 GO:0003677 GO:0003684 GO:0005524 GO:0006259 GO:0006281 GO:0006310 GO:0006974 GO:0008094
100.060.2996.230.050.483fyhA GO:0000166 GO:0003677 GO:0003684 GO:0005524 GO:0006259 GO:0006281 GO:0006310 GO:0006974 GO:0008094
110.060.3166.210.080.501xu4A GO:0000166 GO:0003677 GO:0003684 GO:0005524 GO:0006259 GO:0006281 GO:0006310 GO:0006974 GO:0008094
120.060.2787.530.050.534i27A GO:0003677 GO:0003887 GO:0003912 GO:0005634 GO:0005654 GO:0005737 GO:0006259 GO:0006304 GO:0016740 GO:0016779 GO:0034061 GO:0046872 GO:0071897
130.060.2916.940.040.505b16A GO:0001530 GO:0003723 GO:0003725 GO:0004518 GO:0004519 GO:0004521 GO:0004525 GO:0005634 GO:0005654 GO:0005730 GO:0006396 GO:0010468 GO:0010586 GO:0010628 GO:0016075 GO:0016787 GO:0030422 GO:0031047 GO:0031053 GO:0031054 GO:0042254 GO:0042803 GO:0044822 GO:0046872 GO:0050829 GO:0050830 GO:0070877 GO:0070878 GO:0090305 GO:0090501 GO:0090502 GO:2000628
140.060.2707.590.050.532ihmB GO:0003677 GO:0003887 GO:0005634 GO:0006281 GO:0006310 GO:0006974 GO:0016446 GO:0016740 GO:0016779 GO:0030183 GO:0034061 GO:0046872 GO:0071897
150.060.2766.650.060.474lzdA GO:0003677 GO:0003887 GO:0005634 GO:0005654 GO:0006281 GO:0006303 GO:0006310 GO:0006974 GO:0016446 GO:0016740 GO:0016779 GO:0030183 GO:0034061 GO:0046872 GO:0071897
160.060.2884.500.070.382p5sB GO:0000166 GO:0005509 GO:0005525 GO:0005737 GO:0007264 GO:0046872 GO:0048471
170.060.2866.450.030.474rq2A GO:0003677 GO:0003684 GO:0003887 GO:0003906 GO:0005634 GO:0005654 GO:0005737 GO:0005874 GO:0005876 GO:0006260 GO:0006261 GO:0006281 GO:0006284 GO:0006286 GO:0006287 GO:0006288 GO:0006290 GO:0006297 GO:0006915 GO:0006954 GO:0006974 GO:0007435 GO:0007568 GO:0008017 GO:0008630 GO:0010332 GO:0016445 GO:0016446 GO:0016740 GO:0016779 GO:0016829 GO:0019899 GO:0034061 GO:0043234 GO:0045471 GO:0046872 GO:0048535 GO:0048536 GO:0048872 GO:0051402 GO:0055093 GO:0071707 GO:0071897
180.060.2616.420.030.424k4iA GO:0003677 GO:0003887 GO:0005634 GO:0005654 GO:0006260 GO:0006281 GO:0006289 GO:0006303 GO:0006974 GO:0016446 GO:0016740 GO:0016779 GO:0016829 GO:0034061 GO:0046872 GO:0071897
190.060.2697.600.040.524i2iA GO:0003677 GO:0003887 GO:0003912 GO:0005634 GO:0005654 GO:0005737 GO:0006259 GO:0006304 GO:0016740 GO:0016779 GO:0034061 GO:0046872 GO:0071897
200.060.2627.270.040.471t3nA GO:0003677 GO:0003684 GO:0003887 GO:0005622 GO:0005634 GO:0005654 GO:0006260 GO:0006281 GO:0006974 GO:0016740 GO:0016779 GO:0019985 GO:0042276 GO:0043231 GO:0046872 GO:0071897
210.060.2376.010.040.373mf2A GO:0000166 GO:0004812 GO:0005524 GO:0006418 GO:0016874 GO:0016878 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0003887 GO:0003677 GO:0008270 GO:0004401 GO:0000166
GO-Score 0.96 0.96 0.48 0.47 0.38
Biological Processes GO:0006260 GO:0071897 GO:0006281 GO:0016311 GO:0071978 GO:0000105
GO-Score 0.96 0.96 0.76 0.72 0.48 0.47
Cellular Component GO:0005829
GO-Score 0.48

(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.