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I-TASSER results for job id Rv3413c

[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
10.14 8 4dk4A CA Rep, Mult 159,162
20.04 2 2xqjA UUU Rep, Mult 271,275,279,286,289
30.04 2 1p0iA UUU Rep, Mult 232,234,237,238
40.04 2 2e39A MAN Rep, Mult 214,275,276,278
50.02 1 2zuvA NO3 Rep, Mult 186,188,207,208
60.02 1 4dlmA ZN Rep, Mult 52,79
70.02 1 2o01G CLA Rep, Mult 260,261
80.02 1 1ft6A SO3 Rep, Mult 151,224
90.02 1 4pu3B NUC Rep, Mult 51,55
100.02 1 2wigA UUU Rep, Mult 181,242,243
110.02 1 2e3aA MAN Rep, Mult 275,276,278
120.02 1 1qpaA MAN Rep, Mult 255,256,257
130.02 1 3djyA UUU Rep, Mult 195,196,203,224,225
140.02 1 1h78A DCP Rep, Mult 265,266,267,268,269,270,273
150.02 1 1c8iA BMA Rep, Mult 219,275,276
160.02 1 5l1gD GYB Rep, Mult 153,160
170.02 1 1texA TRE Rep, Mult 237,297
180.02 1 2olnA NA Rep, Mult 206,209,210,211

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
10.0605acnA0.4046.520.0580.6894.2.1.3NA
20.0601gz7C0.3806.660.0680.6793.1.1.3NA
30.0601uwkA0.3865.700.0590.5954.2.1.49NA
40.0601lpsA0.3856.310.0960.6493.1.1.3185
50.0602zuwC0.4056.370.0330.6992.4.1.211247,264
60.0601cleA0.3837.050.0390.7163.1.1.3NA
70.0602dqmA0.3856.690.0360.6793.4.11.2NA
80.0601ry2A0.3866.340.0510.6556.2.1.1NA
90.0601h16A0.3957.020.0510.7392.3.1.54NA
100.0601thgA0.3876.420.1040.6693.1.1.3NA
110.0601maaD0.4085.860.0970.6393.1.1.7NA
120.0601f6wA0.3506.910.0480.6493.1.1.13,3.1.1.3NA
130.0601crlA0.3856.410.1050.6553.1.1.3NA
140.0603ecqB0.3956.220.0300.6493.2.1.97NA
150.0601n1hA0.3886.260.0180.6452.7.7.48277
160.0603b7wA0.3856.040.0480.6326.2.1.2NA
170.0601gz7A0.3916.800.0760.7123.1.1.3NA
180.0601eveA0.4015.890.0660.6323.1.1.7NA
190.0602r7oA0.3896.010.0600.6352.7.7.48181

(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
00.100.6663.570.090.794nl6A GO:0000245 GO:0000387 GO:0003723 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006353 GO:0006397 GO:0007399 GO:0008380 GO:0015030 GO:0030018 GO:0032797 GO:0034719 GO:0036464 GO:0042802 GO:0043005 GO:0043204 GO:0051170 GO:0097504
10.060.3977.010.050.741cm5A GO:0003824 GO:0005737 GO:0005829 GO:0005975 GO:0006006 GO:0006567 GO:0008152 GO:0008861 GO:0016020 GO:0016740 GO:0016746
20.060.4117.040.040.772f3oA GO:0003824 GO:0008152 GO:0016829
30.060.3707.300.040.735bweA GO:0003824 GO:0008152
40.060.4106.550.060.725i2gA GO:0003824 GO:0008152
50.060.3067.150.060.593aw5A GO:0005507 GO:0016020 GO:0016021 GO:0016491 GO:0016722 GO:0046872 GO:0055114
60.060.4136.490.060.715i2aB GO:0003824 GO:0008152
70.060.2816.840.060.514jz7C GO:0000166 GO:0005829 GO:0006525 GO:0008804 GO:0016301 GO:0016310 GO:0016740 GO:0019546
80.060.2726.560.030.473r0xA GO:0003941 GO:0005737 GO:0006520 GO:0006563 GO:0008721 GO:0016829 GO:0016836 GO:0030170 GO:0030378 GO:0036088 GO:0046416 GO:0070179
90.060.3966.920.040.744mtjA GO:0003824 GO:0008152
100.060.3026.710.040.543pyzA GO:0000166 GO:0004326 GO:0005524 GO:0009058 GO:0009396 GO:0016874 GO:0046901
110.060.2785.730.070.432aczB GO:0005886 GO:0006099 GO:0008177 GO:0009055 GO:0009060 GO:0016020 GO:0016491 GO:0046872 GO:0051536 GO:0051537 GO:0051538 GO:0051539 GO:0055114
120.060.4196.500.070.732yajC GO:0003824 GO:0008152 GO:0016829 GO:0043722
130.060.2707.120.060.505einA GO:0003942 GO:0005737 GO:0006526 GO:0008652 GO:0009085 GO:0016491 GO:0016620 GO:0019878 GO:0046983 GO:0051287 GO:0055114
140.060.3056.680.040.552pffA GO:0000287 GO:0003824 GO:0004312 GO:0004315 GO:0004316 GO:0004321 GO:0005829 GO:0005835 GO:0006629 GO:0006631 GO:0006633 GO:0008152 GO:0008897 GO:0016491 GO:0016740 GO:0042759 GO:0046872 GO:0055114 GO:0102132
150.060.2576.650.030.462g77A GO:0005096 GO:0005794 GO:0005795 GO:0006886 GO:0016192 GO:0017137 GO:0031338 GO:0090630
160.060.2476.890.030.445jc7A GO:0003677 GO:0005524 GO:0016787 GO:0016817
170.060.2566.680.010.455btoB GO:0000463 GO:0000466 GO:0000956 GO:0005634 GO:0005829 GO:0030234 GO:0030846 GO:0031087 GO:0034353 GO:0050790 GO:0071035 GO:0090502 GO:1990174
180.060.2677.060.060.502pljA GO:0003824 GO:0004586 GO:0006596 GO:0016829


Consensus prediction of GO terms
 
Molecular Function GO:0003723 GO:0042802 GO:0016829 GO:0008861
GO-Score 0.10 0.10 0.06 0.06
Biological Processes GO:0000245 GO:0000387 GO:0051170 GO:0007399 GO:0006353 GO:0006567 GO:0006006
GO-Score 0.10 0.10 0.10 0.10 0.10 0.06 0.06
Cellular Component GO:0044444
GO-Score 0.31

(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.