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I-TASSER results for job id Rv2568c

[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
10.21 11 2gtqA ZN Rep, Mult 179,183,238
20.11 6 3dtiA ZN Rep, Mult 175,176,179,242
30.06 3 3ndiA ZN Rep, Mult 20,23,48,56
40.04 2 3efoB ZN Rep, Mult 6,9,20,23
50.02 1 3perA FE Rep, Mult 164,176,179
60.02 1 3l2nA CA Rep, Mult 138,164,235
70.02 1 2zo4A ZN Rep, Mult 172,175,235,252
80.02 1 4a37A ZN Rep, Mult 138,164,249

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
10.0602j5wA0.3976.820.0410.6831.16.3.1NA
20.0601z7hA0.3945.720.0240.5953.4.24.68NA
30.0602imcB0.3936.330.0600.6253.4.24.69298
40.0602etfB0.3956.310.0760.6363.4.24.69NA
50.0602vuaA0.2946.990.0440.5133.4.24.69247,251,305
60.0601f6wA0.3966.280.0630.6363.1.1.13,3.1.1.3NA
70.0602w2dA0.4026.520.0580.6633.4.24.69298
80.0601e1hC0.3065.180.0670.4403.4.24.69NA
90.0603debA0.3946.290.0550.6453.4.24.69NA
100.0601yqyA0.4515.050.0810.6363.4.24.83NA
110.0601aroP0.3766.920.0500.6602.7.7.6NA
120.0601jkyA0.4534.950.0770.6253.4.24.83231
130.0603ebgA0.4186.310.0600.6803.4.11.-NA
140.0601b41A0.3916.310.0700.6363.1.1.7NA
150.0601zkxB0.3815.950.0360.5893.4.24.69247
160.0602np0A0.4036.210.0730.6573.4.24.69247
170.0601e1hD0.1765.050.0090.2433.4.24.69NA
180.0601zb7A0.3956.110.0650.6253.4.24.69247
190.0601n1zA0.4016.340.0660.6335.5.1.8NA

(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
00.300.4534.950.080.621jkyA GO:0000122 GO:0001933 GO:0003824 GO:0005576 GO:0005829 GO:0005886 GO:0006508 GO:0008233 GO:0008237 GO:0009405 GO:0010008 GO:0010629 GO:0016787 GO:0035897 GO:0043409 GO:0044533 GO:0046872 GO:0061136 GO:0097300 GO:1903140
10.110.4514.750.080.621zxvA GO:0003824 GO:0005576 GO:0006508 GO:0008237 GO:0009405 GO:0046872
20.060.3057.050.040.534be4A GO:0016787
30.060.3475.780.050.521xfuA GO:0000166 GO:0003824 GO:0004016 GO:0005516 GO:0005524 GO:0005576 GO:0005829 GO:0005886 GO:0006171 GO:0006508 GO:0008237 GO:0008294 GO:0009405 GO:0010008 GO:0016829 GO:0046872 GO:0052007
40.060.3465.070.060.484fxqA GO:0000166 GO:0003824 GO:0005576 GO:0006508 GO:0008237 GO:0009405 GO:0016740 GO:0016779 GO:0046872
50.060.4076.760.040.693c46A GO:0000166 GO:0003899 GO:0005524 GO:0005525 GO:0016740 GO:0016779 GO:0019012 GO:0032774 GO:0046872
60.060.3196.280.060.511y2mB GO:0003824 GO:0005737 GO:0006559 GO:0009698 GO:0009800 GO:0016829 GO:0016841 GO:0045548 GO:0052883
70.060.3236.350.040.532gq3A GO:0000287 GO:0003824 GO:0004474 GO:0005576 GO:0005618 GO:0005737 GO:0005829 GO:0005886 GO:0006097 GO:0006099 GO:0015936 GO:0016740 GO:0030145 GO:0046872
80.060.2987.420.040.554qnuA GO:0002098 GO:0006400 GO:0008033 GO:0016300 GO:0016740 GO:0016765 GO:0030488
90.060.2676.700.040.451opeA GO:0005739 GO:0008152 GO:0008260 GO:0008410 GO:0016740 GO:0042803 GO:0046950 GO:0046952
100.060.2776.950.030.483jzdA GO:0000166 GO:0016491 GO:0046872 GO:0055114
110.060.2716.810.040.473iv7A GO:0016491 GO:0018506 GO:0046872 GO:0055114
120.060.2896.750.090.482z0qA GO:0005085 GO:0005089 GO:0005622 GO:0005737 GO:0035023 GO:0035556 GO:0043547
130.060.2846.170.070.461jkfA GO:0004512 GO:0005737 GO:0006021 GO:0006629 GO:0008654 GO:0016853
140.060.2886.510.040.484lcdA GO:0000151 GO:0000209 GO:0004842 GO:0005634 GO:0005737 GO:0005794 GO:0005856 GO:0005934 GO:0006333 GO:0006511 GO:0006513 GO:0006808 GO:0007005 GO:0010008 GO:0010793 GO:0010794 GO:0010795 GO:0010796 GO:0016567 GO:0016874 GO:0019220 GO:0030479 GO:0031234 GO:0031384 GO:0032436 GO:0032443 GO:0032511 GO:0032880 GO:0032956 GO:0034517 GO:0034644 GO:0035091 GO:0042493 GO:0042787 GO:0043130 GO:0043161 GO:0043162 GO:0045723 GO:0045807 GO:0045944 GO:0048260 GO:0051865 GO:0061630 GO:0070086 GO:2000203 GO:2000232 GO:2000235 GO:2000238
150.060.2527.090.030.451p1fA GO:0004512 GO:0005737 GO:0006021 GO:0006629 GO:0008654 GO:0016853
160.060.2616.590.070.432v1uA GO:0000166 GO:0003677 GO:0005524 GO:0006260
170.060.3036.130.060.481jkiA GO:0004512 GO:0005737 GO:0006021 GO:0006629 GO:0008654 GO:0016853
180.060.2676.580.050.441m3eB GO:0005739 GO:0008152 GO:0008260 GO:0008410 GO:0016740 GO:0042803 GO:0046950 GO:0046952


Consensus prediction of GO terms
 
Molecular Function GO:0008237 GO:0046872
GO-Score 0.46 0.46
Biological Processes GO:0009405 GO:0044533 GO:0035897 GO:0061136 GO:0000122 GO:0043409 GO:0097300 GO:1903140
GO-Score 0.46 0.30 0.30 0.30 0.30 0.30 0.30 0.30
Cellular Component GO:0005576 GO:0010008 GO:0005829 GO:0005886
GO-Score 0.46 0.35 0.35 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.