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I-TASSER results for job id Rv3714c

[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
10.13 7 1txoA MN Rep, Mult 241,242
20.08 4 2c88A NA Rep, Mult 259,260,261,263,269
30.08 4 1ysaC NUC Rep, Mult 132,133,136,139,143
40.04 2 2pk0B MG Rep, Mult 214,241,242
50.04 2 1t2kD NUC Rep, Mult 121,122,128,129,132
60.02 1 4wpcA I6P Rep, Mult 165,169
70.02 1 3ojaB MAN Rep, Mult 140,143
80.02 1 3ar2A NA Rep, Mult 262,263,267
90.02 1 1cw0A MG Rep, Mult 220,228
100.02 1 5buoA III Rep, Mult 202,203,206,289
110.02 1 3wmgA DMU Rep, Mult 176,180
120.02 1 3kviA FAH Rep, Mult 78,79

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
10.0603ffzA0.3645.470.0480.5473.4.24.69286
20.0602cseW0.3886.270.0550.6623.6.4.13NA
30.0601b0pA0.3406.020.0220.5511.2.7.1NA
40.0602vuaA0.2715.880.0200.4323.4.24.69NA
50.0601zvuA0.3415.650.0490.5245.99.1.-NA
60.0603gpbA0.2376.270.0380.3992.4.1.1NA
70.0603b8cA0.4775.420.0610.6993.6.3.6NA
80.0602pffA0.3616.440.0540.6282.3.1.41,2.3.1.86NA
90.0601ahpA0.3715.220.0520.5472.4.1.1NA
100.0602pffD0.3586.300.0320.6082.3.1.86202
110.0603b8eC0.3655.840.0620.5743.6.3.9NA
120.0601mo7A0.1835.720.0650.2873.6.3.9193
130.0601fa9A0.2767.020.0310.5302.4.1.1NA
140.0603hmjA0.3486.250.0580.5852.3.1.86NA
150.0602np0A0.3505.230.0270.4973.4.24.69NA
160.0603b8eA0.3675.680.0580.5813.6.3.9NA
170.0603a1cB0.2396.610.0700.4223.6.3.-279
180.0601nbwA0.3446.360.0880.5784.2.1.30228
190.0603g61A0.3845.900.0570.6223.6.3.4426

(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
00.140.3675.680.060.583b8eA GO:0000166 GO:0002028 GO:0005391 GO:0005524 GO:0005886 GO:0005890 GO:0006810 GO:0006811 GO:0006813 GO:0006814 GO:0006883 GO:0010107 GO:0010248 GO:0015991 GO:0016020 GO:0016021 GO:0016787 GO:0030007 GO:0030955 GO:0031402 GO:0036376 GO:0042383 GO:0043231 GO:0046872 GO:0051117 GO:0086009 GO:0090662 GO:1990573
10.070.4935.680.050.753a3yA GO:0000166 GO:0005391 GO:0005524 GO:0006810 GO:0006811 GO:0006813 GO:0006814 GO:0010248 GO:0016020 GO:0016021 GO:0016787 GO:0046872 GO:0090662
20.070.4884.470.080.655c21A GO:0005886 GO:0006810 GO:0008565 GO:0009306 GO:0015031 GO:0016020 GO:0016021 GO:0019835 GO:0044179
30.070.4875.850.050.773ixzA GO:0000166 GO:0000287 GO:0005391 GO:0005524 GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0006813 GO:0006814 GO:0006883 GO:0008900 GO:0010107 GO:0010248 GO:0015991 GO:0015992 GO:0016020 GO:0016021 GO:0016787 GO:0030007 GO:0036376 GO:0043231 GO:0046872
40.060.4495.560.050.673w5bA GO:0000166 GO:0005388 GO:0005509 GO:0005524 GO:0005783 GO:0005789 GO:0005793 GO:0006810 GO:0006811 GO:0006816 GO:0006942 GO:0016020 GO:0016021 GO:0016529 GO:0016787 GO:0031448 GO:0031673 GO:0031674 GO:0033017 GO:0045988 GO:0046872 GO:0048471 GO:0070588
50.060.4765.320.050.701mhsA GO:0000166 GO:0005524 GO:0005886 GO:0005887 GO:0006754 GO:0006810 GO:0006811 GO:0008553 GO:0015992 GO:0016020 GO:0016021 GO:0016787 GO:0016887 GO:0043231 GO:0046872 GO:0051453 GO:1902600
60.060.3326.680.040.594bbjA GO:0000166 GO:0005886 GO:0006812 GO:0016020 GO:0016021 GO:0016787 GO:0019829 GO:0046872 GO:0098655
70.060.3875.230.050.553j09A GO:0000166 GO:0005507 GO:0005524 GO:0005886 GO:0006810 GO:0006811 GO:0006812 GO:0006825 GO:0016020 GO:0016021 GO:0016787 GO:0019829 GO:0030001 GO:0046872 GO:0098655
80.060.4775.420.060.703b8cA GO:0000166 GO:0000287 GO:0005524 GO:0005886 GO:0005887 GO:0006754 GO:0006810 GO:0006811 GO:0008553 GO:0015991 GO:0015992 GO:0016020 GO:0016021 GO:0016787 GO:0016887 GO:0046872 GO:0051453
90.060.3076.730.050.542v4dB GO:0005886 GO:0006810 GO:0006855 GO:0015238 GO:0016020 GO:0031226 GO:0046677 GO:0055085
100.060.3515.540.060.534umvA GO:0000166 GO:0005886 GO:0006812 GO:0016020 GO:0016021 GO:0016787 GO:0019829 GO:0030001 GO:0046872 GO:0098655
110.060.2475.940.110.402rarA GO:0005737 GO:0016311 GO:0016787 GO:0016791 GO:0044283 GO:0046872
120.060.2475.620.090.393r4cA GO:0005737 GO:0016311 GO:0016787 GO:0016791 GO:0044283 GO:0046872
130.060.2346.020.090.381nrwA GO:0005737 GO:0016311 GO:0016787 GO:0016791 GO:0044283 GO:0046872
140.060.2745.080.060.393cb2A GO:0000086 GO:0000166 GO:0000212 GO:0000226 GO:0000242 GO:0000794 GO:0000930 GO:0003924 GO:0005200 GO:0005525 GO:0005737 GO:0005813 GO:0005814 GO:0005815 GO:0005827 GO:0005829 GO:0005856 GO:0005874 GO:0005876 GO:0005881 GO:0005929 GO:0007017 GO:0007020 GO:0031122 GO:0031252 GO:0031513 GO:0036064 GO:0045177 GO:0055037
150.060.2606.180.070.432hf2B GO:0000287 GO:0005737 GO:0016311 GO:0016787 GO:0044283 GO:0046872 GO:0050308
160.060.2436.090.060.404dwoA GO:0005737 GO:0016311 GO:0016787 GO:0016791 GO:0044283 GO:0046872
170.060.2495.390.060.372yj4B GO:0000166 GO:0005887 GO:0006812 GO:0008900 GO:0016020 GO:0016021 GO:0016787 GO:0019829 GO:0030001 GO:0035434 GO:0043231 GO:0043682 GO:0046872 GO:0098655 GO:1902600
180.060.2546.900.040.464dk1B GO:0005886 GO:0006810 GO:0006855 GO:0015238 GO:0016020 GO:0031226 GO:0042802 GO:0046677 GO:0055085


Consensus prediction of GO terms
 
Molecular Function GO:0015081 GO:0008556 GO:0005524 GO:0046872
GO-Score 0.51 0.51 0.30 0.30
Biological Processes GO:0055078 GO:0006875 GO:0055075 GO:0015988 GO:0071805 GO:0071436 GO:0030004
GO-Score 0.40 0.40 0.40 0.40 0.40 0.40 0.40
Cellular Component GO:0071944 GO:0043229 GO:0043227 GO:0016021
GO-Score 0.51 0.40 0.40 0.35

(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.