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I-TASSER results for job id Rv3144c

[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
10.06 3 4oadA CLM Rep, Mult 66,69,70,73
20.04 2 1jb0M CLA Rep, Mult 62,66
30.04 2 1gfzA CFF Rep, Mult 231,235,244,245
40.04 2 1l7xA 700 Rep, Mult 100,150,155,313,314
50.02 1 2atiA IHU Rep, Mult 217,219,223,224
60.02 1 3cisB MG Rep, Mult 11,148
70.02 1 2jstA HLT Rep, Mult 31,69
80.02 1 2g38B MN Rep, Mult 149,152,153
90.02 1 2jstB HLT Rep, Mult 31,34,69
100.02 1 3cemA AVD Rep, Mult 204,205,206,209
110.02 1 2cj0A MAN Rep, Mult 200,201
120.02 1 2a68P MG Rep, Mult 147,150
130.02 1 2bkoA CA Rep, Mult 115,152,156
140.02 1 3dslB CA Rep, Mult 237,238,239,240,252,253
150.02 1 5tglA HEE Rep, Mult 208,272
160.02 1 1xoiB 288 Rep, Mult 96,147,151,311,312
170.02 1 2np5C NDS Rep, Mult 78,79,83,87
180.02 1 1izlM CLA Rep, Mult 154,157
190.02 1 2vn4A MAN Rep, Mult 357,358
200.02 1 3cejB AVF Rep, Mult 227,228,229,230,233

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
10.0602qllA0.4056.540.0410.6482.4.1.1NA
20.0601ahpA0.4066.760.0310.6702.4.1.1NA
30.0602vdcA0.3777.070.0650.6331.4.1.13NA
40.0601gaiA0.3826.530.0600.6023.2.1.3NA
50.0602eabA0.3696.880.0440.5973.2.1.63NA
60.0601nxcA0.3696.290.0620.5653.2.1.113NA
70.0601ygpA0.4006.380.0290.6262.4.1.1NA
80.0601obbA0.3646.640.0720.5803.2.1.20NA
90.0602vn4A0.3916.190.0500.5893.2.1.3NA
100.0601gw0A0.3586.850.0390.5821.10.3.2NA
110.0603epsA0.3656.870.0390.6092.7.11.5259
120.0601e1yA0.4036.680.0410.6482.4.1.1NA
130.0603bq5A0.3567.370.0470.6142.1.1.14NA
140.0601q16A0.3477.370.0640.6061.7.99.4NA
150.0601fp3A0.3726.360.0620.5655.1.3.8NA
160.0601hcuB0.3746.350.0680.5703.2.1.1139,14
170.0601t7lA0.3737.280.0430.6362.1.1.14NA
180.0601xmeA0.3696.290.0500.5551.9.3.1NA
190.0601hxgA0.3656.810.0700.5894.2.3.9,4.1.99.7203

(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
00.130.7293.900.100.883cghA GO:0046872
10.120.7373.760.100.884pucB GO:0046872
20.090.6634.220.070.833mx3A GO:0046872
30.060.3087.560.060.554bjuA GO:0000287 GO:0004610 GO:0005975 GO:0016868 GO:0046872 GO:0071704
40.060.2607.060.070.444mpqA GO:0003824 GO:0008152 GO:0016829
50.060.2387.850.070.454p3mB GO:0003824 GO:0004372 GO:0005737 GO:0006544 GO:0006545 GO:0006563 GO:0006730 GO:0008652 GO:0016740 GO:0019264 GO:0030170 GO:0035999
60.060.2517.050.020.421p5hA GO:0003824 GO:0005737 GO:0008152 GO:0008410 GO:0016740 GO:0033608 GO:0033611
70.060.1795.640.030.261ou0B GO:0009236 GO:0016993
80.060.1505.770.050.224j8pA GO:0000166 GO:0010181
90.060.1364.970.030.194hhxA GO:0005886 GO:0006810 GO:0009306 GO:0015031 GO:0016020 GO:0016021
100.060.1074.320.040.133wztE GO:0003980 GO:0006486 GO:0016740 GO:0097359
110.060.0773.540.100.093adgA GO:0003723 GO:0003725 GO:0004525 GO:0005634 GO:0009733 GO:0009735 GO:0009737 GO:0010267 GO:0010305 GO:0010445 GO:0010589 GO:0015030 GO:0031047 GO:0031053 GO:0031054 GO:0035196 GO:0035198 GO:0035279 GO:0090502
120.060.1244.580.060.162qyaA
130.060.6923.960.080.853sghA
140.060.7413.790.070.894f7aA
150.060.6404.700.080.843fdhA
160.060.6334.130.070.793ejnA
170.060.1334.590.040.173l7qA
180.060.6883.840.060.834mruA


Consensus prediction of GO terms
 
Molecular Function GO:0046872
GO-Score 0.35
Biological Processes GO:0005975
GO-Score 0.06
Cellular Component
GO-Score

(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.