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I-TASSER results for job id Rv2293c

[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
10.49 102 4g41B MTA Rep, Mult 44,45,88,120,121,122,200,201,202,224,225,226,241,244,245
20.18 34 3qpbD R1P Rep, Mult 44,48,88,117,119,120,201,224,225,226
30.01 3 1jysB ADE Rep, Mult 122,200,201,202,224,225

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
10.2491z5oA0.7301.860.1790.7933.2.2.988,232
20.1972qttA0.6622.510.1440.7563.2.2.1644,91,199
30.1871jpvA0.6442.500.1210.7322.4.2.2887,89,199
40.1521u1dA0.6432.980.1080.7562.4.2.389
50.1333dp9C0.7281.700.2070.7853.2.2.9NA
60.1273eeiA0.7301.760.2160.7893.2.2.9,3.2.2.16NA
70.1261nc3A0.7301.880.1790.7933.2.2.9NA
80.1201zosA0.7102.030.2030.7803.2.2.16NA
90.1151qe5B0.6143.110.0610.7322.4.2.190
100.0842iscD0.6502.770.1070.7522.4.2.1NA
110.0791a69A0.6552.580.1230.7482.4.2.1NA
120.0693dpsF0.6352.820.1120.7402.4.2.3NA
130.0673enzC0.6362.930.1020.7442.4.2.3244
140.0671yqqA0.6363.120.1020.7482.4.2.148
150.0671c3xA0.6212.760.0860.7202.4.2.1NA
160.0671k27A0.6312.580.1170.7242.4.2.28NA
170.0671i80A0.6233.090.0870.7362.4.2.1NA
180.0672a8yA0.6322.800.1020.7322.4.2.28NA
190.0671vmkB0.5993.040.0990.7112.4.2.1NA
200.0601k3fA0.6383.050.1080.7562.4.2.3NA
210.0601wtaA0.6193.020.0910.7322.4.2.28NA
220.0601vhjB0.6522.540.1020.7482.4.2.1NA
230.0601jdvC0.6452.500.1210.7322.4.2.28NA
240.0601z2lA0.4944.090.0980.6383.5.3.-NA
250.0603e0qC0.6383.280.1060.7722.4.2.1NA
260.0603bl6A0.7291.720.1870.7853.2.2.16NA
270.0601tcuC0.6393.100.0890.7602.4.2.1NA
280.0601ulaA0.6403.040.0950.7602.4.2.1NA
290.0602guwB0.6523.120.0880.7763.2.2.487,89,92,199
300.0601xe3D0.6492.830.1260.7562.4.2.1NA
310.0603eueA0.6713.520.0860.8172.4.2.3NA
320.0601vhwD0.6522.610.0970.7482.4.2.187,89,122
330.0601v4nB0.6232.920.0930.7322.4.2.28NA
340.0601r3nA0.4854.460.0700.6633.5.1.6NA
350.0603bjeA0.6733.450.1150.8172.4.2.-NA
360.0603bsfA0.6562.370.1310.7443.2.2.944,89,91,122,199
370.0603emvA0.6382.890.1060.7442.4.2.1NA
380.0601odiA0.6502.740.1360.7482.4.2.28NA

(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
00.330.7072.230.190.794kn5A GO:0003824 GO:0008152 GO:0008652 GO:0008782 GO:0008930 GO:0009086 GO:0009116 GO:0009164 GO:0016787 GO:0016798 GO:0019509
10.300.6582.600.150.754m3nA GO:0003824 GO:0004731 GO:0006139 GO:0009116 GO:0016740 GO:0016757 GO:0016763
20.300.7411.850.190.804f2pB GO:0003824 GO:0008652 GO:0008782 GO:0008930 GO:0009086 GO:0009116 GO:0009164 GO:0016787 GO:0019284 GO:0019509
30.290.7071.720.210.764qezB GO:0003824 GO:0008652 GO:0008782 GO:0008930 GO:0009086 GO:0009116 GO:0009164 GO:0016787 GO:0019284 GO:0019509
40.290.7241.800.180.784g89A GO:0003824 GO:0008652 GO:0008782 GO:0008930 GO:0009086 GO:0009116 GO:0009164 GO:0016787 GO:0019284 GO:0019509
50.280.7521.610.180.794yo8B GO:0003824 GO:0008652 GO:0008782 GO:0008930 GO:0009086 GO:0009116 GO:0009164 GO:0009234 GO:0016787 GO:0019509 GO:0102246
60.250.7082.160.210.794l0mA GO:0003824 GO:0008152 GO:0008652 GO:0008782 GO:0008930 GO:0009086 GO:0009116 GO:0009164 GO:0016787 GO:0016798 GO:0019509
70.250.7272.060.200.804g41A GO:0003824 GO:0008152 GO:0008652 GO:0008782 GO:0008930 GO:0009086 GO:0009116 GO:0009164 GO:0016787 GO:0016798 GO:0019509
80.250.7481.740.160.794jwtA GO:0003824 GO:0008152 GO:0008652 GO:0008782 GO:0008930 GO:0009086 GO:0009116 GO:0009164 GO:0016787 GO:0016798 GO:0019509
90.250.7291.700.200.784wkbA GO:0003824 GO:0008652 GO:0008782 GO:0008930 GO:0009086 GO:0009116 GO:0009164 GO:0016787 GO:0019284 GO:0019509
100.240.6512.600.130.754lkrA GO:0003824 GO:0004731 GO:0006139 GO:0009116 GO:0016740 GO:0016757 GO:0042278
110.240.6572.620.150.754m7wA GO:0003824 GO:0004731 GO:0006139 GO:0009116 GO:0016740 GO:0016757 GO:0016763
120.240.7291.720.190.783bl6A GO:0003824 GO:0008652 GO:0008782 GO:0008930 GO:0009086 GO:0009116 GO:0009164 GO:0016787 GO:0019284 GO:0019509
130.230.7102.030.200.781zosA GO:0003824 GO:0008152 GO:0008652 GO:0008782 GO:0008930 GO:0009086 GO:0009116 GO:0009164 GO:0016787 GO:0016798 GO:0019509
140.230.7411.690.180.794josB GO:0003824 GO:0008152 GO:0008652 GO:0008782 GO:0008930 GO:0009086 GO:0009116 GO:0009164 GO:0016787 GO:0016798 GO:0019509
150.220.6562.720.100.764ldnA GO:0003824 GO:0004731 GO:0006139 GO:0009116 GO:0016740 GO:0016757 GO:0016763 GO:0042278
160.220.6292.610.110.721t0uA GO:0003824 GO:0004850 GO:0005737 GO:0005829 GO:0006974 GO:0009116 GO:0009166 GO:0016020 GO:0016740 GO:0016757 GO:0016763 GO:0042802 GO:0044206
170.210.6423.010.110.762hn9A GO:0003824 GO:0004850 GO:0005737 GO:0009116 GO:0009166 GO:0016740 GO:0016757 GO:0016763 GO:0044206
180.210.7301.760.220.793eeiA GO:0003824 GO:0008152 GO:0008652 GO:0008782 GO:0008930 GO:0009086 GO:0009116 GO:0009164 GO:0016787 GO:0016798 GO:0019284 GO:0019509
190.210.6393.050.100.764g8jB GO:0003824 GO:0004850 GO:0005737 GO:0009116 GO:0009166 GO:0016740 GO:0016757 GO:0016763 GO:0044206
200.200.5762.640.180.654pr3A GO:0003824 GO:0008152 GO:0008782 GO:0008930 GO:0009116 GO:0016787 GO:0016798
210.200.7292.020.180.805dk6A GO:0003824 GO:0008652 GO:0008782 GO:0008930 GO:0009086 GO:0009116 GO:0009164 GO:0016787 GO:0019284 GO:0019509
220.200.6523.120.090.782guwB GO:0003824 GO:0008152 GO:0008714 GO:0009116 GO:0016787 GO:0016798 GO:0044209 GO:0046033
230.190.6422.990.110.764r2wD GO:0003824 GO:0004850 GO:0005737 GO:0006139 GO:0009116 GO:0009166 GO:0016740 GO:0016757 GO:0016763 GO:0044206
240.190.6623.500.100.801t8rA GO:0003824 GO:0005829 GO:0008152 GO:0008714 GO:0009116 GO:0016787 GO:0044209 GO:0046033
250.180.6502.770.110.752iscD GO:0003824 GO:0004731 GO:0006139 GO:0009116
260.170.6322.790.100.733t94A GO:0003824 GO:0005737 GO:0006166 GO:0009116 GO:0016740 GO:0016757 GO:0016763 GO:0017061 GO:0019509 GO:0043101
270.170.6542.600.110.753occD GO:0003824 GO:0004731 GO:0006139 GO:0009116 GO:0016740 GO:0016757 GO:0016763 GO:0042278
280.170.6462.890.130.763qpbC GO:0003824 GO:0004850 GO:0005737 GO:0009116 GO:0009166 GO:0016740 GO:0016757 GO:0016763 GO:0044206
290.160.6492.830.130.761xe3D GO:0003824 GO:0004731 GO:0006139 GO:0009116 GO:0016740 GO:0016757 GO:0016763 GO:0042278
300.160.6552.600.100.753of3A GO:0003824 GO:0004731 GO:0006139 GO:0009116 GO:0016740 GO:0016757 GO:0016763 GO:0042278
310.160.6622.510.140.762qttA GO:0000003 GO:0001944 GO:0003824 GO:0005829 GO:0005886 GO:0008652 GO:0008782 GO:0008930 GO:0009086 GO:0009116 GO:0016787 GO:0019509
320.150.6342.740.110.734lnaA GO:0003824 GO:0004731 GO:0006139 GO:0009116 GO:0016740 GO:0016757 GO:0016763


Consensus prediction of GO terms
 
Molecular Function GO:0008782 GO:0008930
GO-Score 0.77 0.77
Biological Processes GO:0009164 GO:0019509 GO:0019284
GO-Score 0.77 0.77 0.65
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.