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I-TASSER results for job id Rv3730c

[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
10.47 21 3pkyA UTP Rep, Mult 73,121,139,141,175,177,178,179,181,233,239,240,241,247
20.38 16 2faqA MN Rep, Mult 139,141,230,233
30.16 9 3pkyB NUC Rep, Mult 19,22,34,62,64,80,114
40.08 5 2r9lB NUC Rep, Mult 72,73,75,76,91,92,93,94,98,218,237,238
50.06 4 3pkyB QNA Rep, Mult 72,73,74,75,76,93,94,98

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
10.0602akzA0.3745.600.0700.5434.2.1.11NA
20.0603i39X0.3766.490.0510.6191.2.99.2105
30.0601eg7A0.3716.780.0670.6506.3.4.3NA
40.0601p0fA0.3716.250.0670.5901.1.1.2NA
50.0601t7nA0.3656.170.0810.5872.3.1.740
60.0601ahpA0.3916.490.0530.6362.4.1.1NA
70.0601ahuA0.3806.570.0440.6271.1.3.38,1.1.3.13NA
80.0601mc1B0.3696.940.0510.6396.3.3.4NA
90.0601d1tA0.3706.090.0290.5841.1.1.1101
100.0602azdB0.3376.750.0570.5722.4.1.1NA
110.0601c4aA0.3926.090.0430.6241.12.7.260
120.0601a47A0.3746.740.0330.6422.4.1.19270
130.0601ygpA0.3806.630.0490.6302.4.1.1156,157
140.0601qhoA0.3756.920.0410.6533.2.1.133NA
150.0601ciuA0.3746.690.0410.6392.4.1.19233,235
160.0601e9iD0.3725.810.0720.5524.2.1.11NA
170.0601qlhA0.3676.060.0530.5841.1.1.1NA
180.0601cdgA0.3686.640.0340.6212.4.1.19NA
190.0601dehA0.3676.150.0530.5781.1.1.1NA

(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
00.540.7531.730.270.792iryA GO:0000166 GO:0000287 GO:0003677 GO:0003824 GO:0003887 GO:0003896 GO:0003899 GO:0003909 GO:0003910 GO:0004518 GO:0004527 GO:0004652 GO:0005524 GO:0005886 GO:0006266 GO:0006269 GO:0006281 GO:0006303 GO:0006310 GO:0006974 GO:0008152 GO:0008310 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0016874 GO:0030145 GO:0046872 GO:0071897 GO:0090305
10.520.7832.050.290.842faoA GO:0000166 GO:0003677 GO:0003824 GO:0003887 GO:0003910 GO:0004518 GO:0004527 GO:0004532 GO:0005524 GO:0006266 GO:0006281 GO:0006310 GO:0006974 GO:0008152 GO:0016740 GO:0016779 GO:0016787 GO:0016874 GO:0046872 GO:0071897 GO:0090305 GO:0090503
20.060.2916.290.030.461telB GO:0000287 GO:0015977 GO:0016984 GO:0046872
30.060.3096.410.050.513bihA GO:0005737 GO:0005975 GO:0006071 GO:0006094 GO:0016311 GO:0016787 GO:0030145 GO:0042132 GO:0046872
40.060.2306.480.020.382yzsB GO:0003677 GO:0004518 GO:0004519 GO:0016787 GO:0043571 GO:0046872 GO:0051607 GO:0090305
50.060.2576.980.030.445crvB GO:0004721 GO:0004725 GO:0005634 GO:0005654 GO:0005737 GO:0005768 GO:0005769 GO:0005856 GO:0005929 GO:0006470 GO:0006810 GO:0010633 GO:0015031 GO:0016023 GO:0016311 GO:0016787 GO:0016791 GO:0019901 GO:0030030 GO:0030334 GO:0031410 GO:0035335 GO:0036064 GO:0042995 GO:0043162 GO:0060271 GO:0070062 GO:1903387 GO:1903393 GO:2000643
60.060.2656.540.040.441ni9A GO:0005737 GO:0005975 GO:0006071 GO:0006094 GO:0016311 GO:0016787 GO:0030145 GO:0042132 GO:0046872
70.060.2896.550.040.491zjcA GO:0004177 GO:0006508
80.060.2996.940.060.522qryC GO:0005215 GO:0005524 GO:0006810 GO:0015888 GO:0030288 GO:0030975 GO:0042597 GO:0048502 GO:0055085
90.060.2956.450.060.481k7hA GO:0003824 GO:0004035 GO:0008152 GO:0016311 GO:0016787 GO:0016791 GO:0046872
100.060.2806.110.050.454d8yA GO:0003824 GO:0004731 GO:0006139 GO:0009116 GO:0016740 GO:0016757 GO:0016763 GO:0042278
110.060.2705.560.070.402pyuA GO:0000166 GO:0000287 GO:0005829 GO:0006163 GO:0009117 GO:0009143 GO:0016787 GO:0017111 GO:0046872 GO:0047429
120.060.2626.400.040.423b5iA GO:0000287 GO:0008168 GO:0009944 GO:0010252 GO:0016740 GO:0032259 GO:0042802 GO:0046872 GO:0051749
130.060.2606.830.050.451hm7B GO:0016829 GO:0017000 GO:0046872 GO:0050467
140.060.2556.180.040.404wd2A GO:0003824 GO:0006520 GO:0008483 GO:0008793 GO:0009058 GO:0016740 GO:0030170 GO:0080130
150.060.2167.350.040.393letB GO:0000166 GO:0005524 GO:0005576 GO:0006464 GO:0009405 GO:0016740 GO:0016779 GO:0018117 GO:0018178 GO:0034260 GO:0035024 GO:0043087 GO:0044054 GO:0048365 GO:0070733
160.060.2015.860.040.321s7fA GO:0005737 GO:0008080 GO:0016740 GO:0016746 GO:0017198
170.060.2466.350.060.401gz0F GO:0000453 GO:0003723 GO:0005737 GO:0005829 GO:0006364 GO:0006396 GO:0008168 GO:0008173 GO:0016740 GO:0032259 GO:0070039
180.060.1945.000.040.274gcyA GO:0000287 GO:0004170 GO:0005737 GO:0006220 GO:0006226 GO:0009117 GO:0016787 GO:0040007 GO:0046080 GO:0046081 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0003677 GO:0005524 GO:0003887 GO:0003910 GO:0030145 GO:0000287 GO:0003896 GO:0008310 GO:0004652 GO:0004532
GO-Score 0.79 0.78 0.78 0.78 0.57 0.57 0.54 0.54 0.54 0.52
Biological Processes GO:0071897 GO:0006310 GO:0006266 GO:0006303 GO:0016032 GO:0006269 GO:0090503
GO-Score 0.78 0.78 0.78 0.54 0.54 0.54 0.52
Cellular Component GO:0005886
GO-Score 0.54

(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.