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I-TASSER results for job id Rv3190c

[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
10.11 6 3thoA MG Rep, Mult 20,352
20.06 3 5dacA AGS Rep, Mult 19,20,21,43,45,47,50,391
30.06 3 3qktB ANP Rep, Mult 283,284,320,322,323,324,325
40.04 2 1eefD UUU Rep, Mult 300,301
50.04 2 3odhF CA Rep, Mult 303,317
60.02 1 3c25B CA Rep, Mult 294,303
70.02 1 2hgu5 III Rep, Mult 205,208,209,212,215,216
80.02 1 3c2mA MN Rep, Mult 302,303
90.02 1 3odhA CA Rep, Mult 288,303
100.02 1 5dacB AES Rep, Mult 274,275,335,338,339,348,367
110.02 1 1dbrB MG Rep, Mult 317,329
120.02 1 1vs82 III Rep, Mult 327,331,334,335,337,359,360
130.02 1 2hbkA MN Rep, Mult 294,342
140.02 1 3dpgA CA Rep, Mult 303,350
150.02 1 2hgu3 III Rep, Mult 322,323,324,354

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
10.0601gowA0.3427.320.0690.5873.2.1.23NA
20.0601gonA0.3347.180.0570.5613.2.1.21NA
30.0601tr1D0.3377.190.0380.5703.2.1.21174
40.0603g61A0.3345.310.1080.4633.6.3.44NA
50.0601yiqA0.3436.540.0240.5391.1.99.-NA
60.0602b3xA0.2717.420.0240.4734.2.1.3NA
70.0601bgaA0.3387.210.0380.5723.2.1.21NA
80.0601vffA0.3437.220.0380.5873.2.1.21NA
90.0601od0B0.3317.340.0310.5703.2.1.21NA
100.0602vumA0.3307.100.0440.5532.7.7.6NA
110.0601qoxA0.3337.400.0450.5773.2.1.21NA
120.0603h0gA0.3377.140.0550.5682.7.7.6275,338
130.0602w00B0.3347.060.0420.5563.1.21.3333
140.0603gnrA0.3357.220.0470.5633.2.1.21NA
150.0602dgaA0.3307.270.0400.5633.2.1.21NA
160.0601gnxA0.3317.450.0470.5723.2.1.21NA
170.0603kx2B0.3316.300.0670.5083.6.4.13175
180.0602ipyA0.2756.880.0430.4494.2.1.3NA
190.0601dwaM0.3367.320.0410.5753.2.1.147172

(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
00.160.8042.550.070.875da9A GO:0000723 GO:0005089 GO:0005524 GO:0005634 GO:0006281 GO:0016887 GO:0030870 GO:0035023 GO:0043547
10.110.7272.510.070.785da9B GO:0000723 GO:0005089 GO:0005524 GO:0005634 GO:0006281 GO:0016887 GO:0030870 GO:0035023 GO:0043547
20.070.5903.850.100.713qkuA GO:0000166 GO:0005524 GO:0006281 GO:0006302 GO:0006974 GO:0008270 GO:0016787 GO:0016887 GO:0042802 GO:0046872
30.070.5624.400.070.703qf7A GO:0000166 GO:0005524 GO:0006281 GO:0006974 GO:0016787 GO:0046872
40.070.5534.650.060.724ux3A GO:0000166 GO:0003682 GO:0005524 GO:0005634 GO:0005694 GO:0006281 GO:0007049 GO:0007064 GO:0007067 GO:0007130 GO:0007131 GO:0008280 GO:0016887 GO:0030437 GO:0034990 GO:0042802 GO:0051177 GO:0051276 GO:0051301 GO:1990414
50.070.5324.490.080.683qktA GO:0000166 GO:0005524 GO:0006281 GO:0006302 GO:0006974 GO:0008270 GO:0016787 GO:0016887 GO:0042802 GO:0046872
60.070.5183.820.090.633qktB GO:0000166 GO:0005524 GO:0006281 GO:0006302 GO:0006974 GO:0008270 GO:0016787 GO:0016887 GO:0042802 GO:0046872
70.070.5164.000.110.634i99B GO:0000166 GO:0003677 GO:0005524 GO:0005694 GO:0005737 GO:0006260 GO:0007059 GO:0007062 GO:0030261 GO:0051276
80.070.4535.070.100.612o5vA GO:0000166 GO:0003677 GO:0003697 GO:0005524 GO:0005737 GO:0006260 GO:0006281 GO:0006302 GO:0006974 GO:0009432
90.070.4555.370.050.623auyA GO:0000166 GO:0005524 GO:0006281 GO:0006302 GO:0006974 GO:0008270 GO:0016787 GO:0016887 GO:0046872
100.060.3954.330.070.501e69A GO:0000166 GO:0003677 GO:0005524 GO:0005694 GO:0005737 GO:0006260 GO:0007059 GO:0007062 GO:0030261 GO:0042802 GO:0051276
110.060.3407.490.040.592iw3B GO:0000166 GO:0001933 GO:0003723 GO:0003746 GO:0005524 GO:0005737 GO:0005840 GO:0006412 GO:0006414 GO:0006415 GO:0006469 GO:0010494 GO:0016887 GO:0019843 GO:0022626 GO:0042788
120.060.3434.890.070.461b0uA GO:0000166 GO:0003333 GO:0005524 GO:0005886 GO:0006810 GO:0006865 GO:0015424 GO:0016020 GO:0016887
130.060.3284.790.050.443c41J GO:0000166 GO:0003333 GO:0005524 GO:0015424 GO:0015426 GO:0016887
140.060.3234.680.050.434huqB GO:0000166 GO:0005524 GO:0005886 GO:0006810 GO:0016020 GO:0016787 GO:0016887 GO:0043190
150.060.3276.540.030.513zqjD GO:0000166 GO:0003677 GO:0003824 GO:0004518 GO:0005524 GO:0005618 GO:0005737 GO:0005829 GO:0005886 GO:0006281 GO:0006289 GO:0006974 GO:0008270 GO:0009380 GO:0009381 GO:0009432 GO:0016887 GO:0046872 GO:0060543 GO:0090305
160.060.3446.180.050.523zqjA GO:0000166 GO:0003677 GO:0003824 GO:0004518 GO:0005524 GO:0005618 GO:0005737 GO:0005829 GO:0005886 GO:0006281 GO:0006289 GO:0006974 GO:0008270 GO:0009380 GO:0009381 GO:0009432 GO:0016887 GO:0046872 GO:0060543 GO:0090305
170.060.3384.990.070.454ry2A GO:0005524 GO:0006508 GO:0006810 GO:0008233 GO:0008234 GO:0016020 GO:0016021 GO:0016887 GO:0022885 GO:0042626 GO:0043213 GO:0055085
180.060.3304.570.040.432pcjA GO:0000166 GO:0005524 GO:0005886 GO:0006810 GO:0016020 GO:0016787 GO:0016887 GO:0042953 GO:0042954 GO:0043190


Consensus prediction of GO terms
 
Molecular Function GO:0005088 GO:0005524 GO:0016887
GO-Score 0.51 0.39 0.35
Biological Processes GO:0060249 GO:0032200 GO:0051345 GO:0046578 GO:0043087 GO:0007266 GO:0006281
GO-Score 0.51 0.51 0.51 0.51 0.51 0.51 0.39
Cellular Component GO:0043234 GO:0044428
GO-Score 0.51 0.51

(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.