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I-TASSER results for job id Rv3659c

[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
10.45 17 1nlyB AGS Rep, Mult 126,132,161,162,165,166,167,168,236,261,308
20.17 8 1opxA SO4 Rep, Mult 161,162,163,165,166,167
30.10 5 2oap2 ANP Rep, Mult 120,122,132,135,162,165,166,167,168,236,308
40.05 3 4ihqA ADP Rep, Mult 132,135,137,165,166,167,168,308
50.05 2 2oaq2 PO4 Rep, Mult 167,191,236,259
60.04 3 2agvA PTY Rep, Mult 21,24,68,72,75,76
70.01 1 2voyK III Rep, Mult 165,168,169,176

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
10.0601bf2A0.4376.760.0670.7533.2.1.68NA
20.0601ultA0.3956.450.0630.6336.2.1.345
30.0602zrpA0.3794.300.0630.4833.4.99.37165,167,187,189
40.0602vz9B0.3135.400.0580.4522.3.1.85NA
50.0602dkfA0.3995.900.0720.6023.1.-.-NA
60.0601ea0A0.3996.430.0530.6421.4.1.13NA
70.0603gm8A0.3936.590.0330.6563.2.1.-NA
80.0603bq5A0.3766.390.0410.6082.1.1.14NA
90.0603crvA0.3986.020.0590.6173.6.4.12220,225
100.0602ebsB0.3936.220.0530.6313.2.1.15047
110.0602okcB0.4145.900.0720.6252.1.1.72NA
120.0602vdcF0.3846.400.0450.6311.4.1.13NA
130.0602jfdA0.2606.450.0410.4322.3.1.85NA
140.0602o1xB0.3966.170.0600.6222.2.1.7NA
150.0601bhgA0.4047.030.0580.7163.2.1.31NA
160.0601kwgA0.3946.780.0700.6653.2.1.2317
170.0601t34A0.4285.740.0900.6334.6.1.2239,249
180.0602o1xC0.3766.330.0590.5972.2.1.7234
190.0601sqfA0.3956.070.0740.6142.1.1.-NA

(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
00.480.8712.480.230.954ihqA GO:0000166 GO:0005524 GO:0006810
10.430.7643.430.210.922oap2 GO:0000166 GO:0005524 GO:0006810
20.420.7163.160.200.833jvuA GO:0000166 GO:0005524 GO:0005737 GO:0006810 GO:0043107 GO:0043108 GO:0044096
30.390.6813.700.180.832ewvA GO:0000166 GO:0005524 GO:0006810
40.100.7044.350.170.893jc8Ba GO:0005524 GO:0006810 GO:0008565 GO:0009297 GO:0015031
50.080.6743.340.190.801g6oA GO:0000166 GO:0005524 GO:0005737 GO:0006810 GO:0009405
60.080.6414.060.180.804ksrA GO:0000166 GO:0005524 GO:0005737 GO:0006810 GO:0008565 GO:0015031 GO:0015627 GO:0015628
70.080.6514.110.180.815fl3A GO:0005524 GO:0006810
80.070.6253.350.200.741nlzC GO:0000166 GO:0005524 GO:0005737 GO:0006810 GO:0009405
90.070.5254.220.150.664phtB GO:0005524 GO:0006810 GO:0008565 GO:0015627 GO:0015628
100.070.4662.740.150.512gzaC GO:0000166 GO:0005524 GO:0005737 GO:0006810 GO:0009405
110.060.3464.040.070.431nlfA GO:0000166 GO:0005524 GO:0006276
120.060.3344.460.100.432yz2A GO:0000166 GO:0005524 GO:0005886 GO:0006810 GO:0016020 GO:0016787 GO:0016887 GO:0032217 GO:0032218
130.060.3314.320.110.423vx4D GO:0000166 GO:0005524 GO:0006508 GO:0006810 GO:0008233 GO:0008234 GO:0016020 GO:0016021 GO:0016887 GO:0022885 GO:0042626 GO:0043213 GO:0055085
140.060.3153.890.080.403iuyA GO:0000166 GO:0003676 GO:0003723 GO:0004004 GO:0004386 GO:0005524 GO:0005634 GO:0010501 GO:0016787
150.060.3654.950.140.494fwiB GO:0000166 GO:0005524 GO:0006810 GO:0015833 GO:0016887 GO:0046872 GO:0051536 GO:0051539
160.060.3015.730.060.454bejB GO:0000166 GO:0000266 GO:0001836 GO:0003374 GO:0003924 GO:0005525 GO:0005737 GO:0005739 GO:0005741 GO:0005777 GO:0005794 GO:0005829 GO:0005874 GO:0005903 GO:0005905 GO:0006897 GO:0006921 GO:0008289 GO:0010821 GO:0012501 GO:0012505 GO:0015630 GO:0016020 GO:0016559 GO:0016787 GO:0030054 GO:0030672 GO:0031410 GO:0031625 GO:0032459 GO:0042802 GO:0042803 GO:0043065 GO:0043231 GO:0043234 GO:0043653 GO:0045202 GO:0048471 GO:0050714 GO:0051289 GO:0060047 GO:0061025 GO:0070266 GO:0070584 GO:0070585 GO:0090141 GO:0090149 GO:0090200 GO:1900063 GO:1903146 GO:1903578 GO:2001244
170.060.2886.630.070.473i4kA GO:0003824 GO:0008152 GO:0016853 GO:0018849 GO:0018850 GO:0030145 GO:0046872
180.060.3393.740.150.411vplA GO:0005524 GO:0016887


Consensus prediction of GO terms
 
Molecular Function GO:0005524
GO-Score 0.90
Biological Processes GO:0006810 GO:0043107 GO:0043108
GO-Score 0.90 0.42 0.42
Cellular Component GO:0044096 GO:0005737
GO-Score 0.42 0.42

(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.