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I-TASSER results for job id Rv0497

[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
10.05 3 1fxoH TMP Rep, Mult 38,40,41,72,75,76,77,78,115
20.05 3 3arcm CLA Rep, Mult 235,243,247
30.04 2 1hv9A COA Rep, Mult 42,88,89
40.04 2 1gwgA IOD Rep, Mult 251,252,256,258
50.04 2 2onkE MG Rep, Mult 49,55,59
60.04 2 4o6nB MPG Rep, Mult 232,291,295
70.02 1 2q8zA NUP Rep, Mult 285,286,289
80.02 1 2civA MAN Rep, Mult 17,19
90.02 1 1v51A ZN Rep, Mult 141,175
100.02 1 3pyoY MG Rep, Mult 265,300
110.02 1 3zvwC MG Rep, Mult 160,161
120.02 1 2axtM CLA Rep, Mult 243,247
130.02 1 2oi7A DCA Rep, Mult 107,108,147,149,151
140.02 1 3twdB GOB Rep, Mult 105,106,107,108,144,145
150.02 1 2q6qA CO Rep, Mult 284,285
160.02 1 2vd4A P21 Rep, Mult 112,156,157,158,163,166,167
170.02 1 5d56E 78M Rep, Mult 267,270,274
180.02 1 3a0bZ CLA Rep, Mult 274,277
190.02 1 2rh1A CLR Rep, Mult 248,268
200.02 1 1xmeC HAS Rep, Mult 261,265

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
10.0601kblA0.3327.040.0420.6162.7.9.1NA
20.0601lvwA0.4403.940.0520.5522.7.7.2435
30.0601lrwA0.3806.300.0390.6451.1.99.8NA
40.0601kb0A0.3826.400.0350.6521.1.99.-NA
50.0602i5kB0.4064.360.0270.5292.7.7.947
60.0601mc3A0.4274.120.0640.5452.7.7.24NA
70.0603cf4A0.3866.870.0570.6941.2.99.2NA
80.0603hl3A0.3843.540.0550.4652.7.7.24278
90.0603cmmC0.3936.890.0440.7036.3.2.1964
100.0602d0vA0.3846.130.0390.6391.1.99.8NA
110.0601lrwC0.3806.170.0270.6351.1.99.887
120.0603dk5A0.4403.680.0410.5422.3.1.157NA
130.0602o6yA0.3305.250.0930.4844.3.1.-NA
140.0602icyB0.4164.680.0360.5522.7.7.969
150.0602qr5A0.3846.520.0510.6523.4.19.167
160.0602vd4A0.4403.850.0340.5422.3.1.157,2.7.7.2363,65,159
170.0602ggoA0.4183.400.0260.5062.7.7.24NA
180.0602yqjA0.4654.470.0530.6072.7.7.2366
190.0601e1cA0.3916.620.0740.6775.4.99.2155

(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
00.170.7043.480.110.845d92B GO:0000166 GO:0008654 GO:0016020 GO:0016021 GO:0016740 GO:0016780 GO:0046872
10.100.6843.810.070.824o6mB GO:0000166 GO:0008654 GO:0016020 GO:0016021 GO:0016740 GO:0016780 GO:0046872
20.070.5484.900.070.784mndA GO:0003824 GO:0008152 GO:0008654 GO:0016020 GO:0016021 GO:0016740 GO:0016779 GO:0016780 GO:0046872
30.060.4154.630.050.554j18A GO:0003983 GO:0005829 GO:0006011 GO:0008152 GO:0016740 GO:0016779 GO:0070569
40.060.4164.730.020.553r2wC GO:0003983 GO:0005536 GO:0005634 GO:0005737 GO:0005829 GO:0005978 GO:0006011 GO:0006065 GO:0008152 GO:0016740 GO:0016779 GO:0019255 GO:0032557 GO:0042802 GO:0046872 GO:0070062 GO:0070569
50.060.3934.620.040.523gueA GO:0003983 GO:0006011 GO:0008152 GO:0016740 GO:0016779 GO:0020015 GO:0046872 GO:0070569
60.060.4134.470.030.554r7pA GO:0003983 GO:0005536 GO:0005634 GO:0005737 GO:0005829 GO:0005978 GO:0006011 GO:0006065 GO:0008152 GO:0016740 GO:0016779 GO:0019255 GO:0032557 GO:0042802 GO:0046872 GO:0070062 GO:0070569
70.060.4164.680.040.552icyB GO:0003983 GO:0005737 GO:0005829 GO:0005886 GO:0005985 GO:0006011 GO:0008152 GO:0009555 GO:0009651 GO:0016036 GO:0016740 GO:0016779 GO:0052543 GO:0070569 GO:0090406
80.060.3793.310.050.451wvcA GO:0000166 GO:0009058 GO:0009103 GO:0009243 GO:0016740 GO:0016779 GO:0046872 GO:0047343
90.060.3764.010.030.484jd0A GO:0009058 GO:0016740 GO:0016779
100.060.3126.910.030.562ct8A GO:0000166 GO:0004812 GO:0004825 GO:0005524 GO:0005737 GO:0005829 GO:0006412 GO:0006418 GO:0006431 GO:0016874 GO:0046872
110.060.2486.670.070.434bmaA GO:0003977 GO:0008152 GO:0016740 GO:0016779 GO:0070569
120.060.4864.610.040.653oh0A GO:0008152 GO:0070569
130.060.4764.310.040.621vm8A GO:0003977 GO:0005654 GO:0005737 GO:0005829 GO:0005886 GO:0006048 GO:0008152 GO:0016740 GO:0016779 GO:0042802 GO:0070569
140.060.3166.440.050.534bqhA GO:0003977 GO:0005829 GO:0006011 GO:0006048 GO:0008152 GO:0016740 GO:0016779 GO:0070569
150.060.4654.480.050.612yqcA GO:0003977 GO:0005737 GO:0006048 GO:0008152 GO:0016740 GO:0016779 GO:0070569
160.060.2376.600.040.423kjeA GO:0000166 GO:0019415
170.060.2306.800.020.413rgbA GO:0004497 GO:0016020 GO:0016021 GO:0016491 GO:0046872 GO:0055114
180.060.2717.420.040.534wj3M GO:0000166 GO:0003676 GO:0004812 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0016874 GO:0050560


Consensus prediction of GO terms
 
Molecular Function GO:0016772 GO:1901265 GO:0036094 GO:0046872
GO-Score 0.60 0.50 0.50 0.34
Biological Processes GO:0090407 GO:0044249 GO:0006644 GO:0008610
GO-Score 0.60 0.60 0.60 0.60
Cellular Component GO:0031224
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.