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I-TASSER results for job id Rv0260c

[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
10.10 3 3d8nA UP3 Rep, Mult 19,42,72,73,74,107,154,155,157,181,207,210,212,213
20.06 2 3dayA UNX Rep, Mult 28,267,268
30.06 2 4f72A PO4 Rep, Mult 16,17,18,207,208,266
40.06 2 2o8mB III Rep, Mult 34,36
50.03 1 3ir6A GDP Rep, Mult 70,71,75,103,104,105,106,108,127,131,149,150
60.03 1 1c1yB CA Rep, Mult 33,35
70.03 1 4n4wA ZN Rep, Mult 343,346
80.03 1 4l78A XE Rep, Mult 29,204,205,238,239,240
90.03 1 1eu1A O Rep, Mult 61,68,98
100.03 1 1siwA SF4 Rep, Mult 75,76,110,111,116
110.03 1 1shkA MG Rep, Mult 113,114,116
120.03 1 2c6pA UUU Rep, Mult 247,250,251,254,367

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
10.2283d8tB0.5722.750.2900.6514.2.1.7572,104,252
20.0603fedA0.4186.710.0580.6823.4.17.21226
30.0602vycA0.3926.950.0580.6774.1.1.19247
40.0601ordA0.3916.730.0340.6534.1.1.17253
50.0602djiA0.3986.350.0550.6171.2.3.3NA
60.0602nyaF0.3256.140.0330.4961.7.99.4NA
70.0603ey9A0.4006.260.0570.6141.2.2.2NA
80.0601o98A0.4255.840.0500.6255.4.2.1NA
90.0601g8kA0.4115.950.0580.6221.20.98.1153
100.0601ogyI0.4086.260.0590.6301.7.99.4NA
110.0602j5wA0.3946.920.0550.6591.16.3.1NA
120.0601g8kE0.4115.950.0580.6221.20.98.1120
130.0601ygyA0.3976.700.0490.6531.1.1.9573
140.0602q5lA0.4016.200.0690.6124.1.1.74,4.1.1.43NA
150.0601dmrA0.3616.500.0510.5671.7.2.379,95
160.0601n0hA0.3946.200.0370.6012.2.1.6NA
170.0602ihvA0.4035.900.0690.6012.5.1.66NA
180.0601ti2A0.4676.290.0360.7271.97.1.2NA
190.0603dwbA0.3936.830.0470.6463.4.24.71113
200.0602o1xC0.3896.300.0420.6192.2.1.7NA

(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
00.230.6401.580.290.671wd7B GO:0004852 GO:0033014
10.060.4236.450.070.681cx8A GO:0001558 GO:0001618 GO:0001666 GO:0001948 GO:0003725 GO:0004998 GO:0005576 GO:0005615 GO:0005739 GO:0005768 GO:0005886 GO:0005887 GO:0005905 GO:0006879 GO:0006897 GO:0006898 GO:0006953 GO:0007568 GO:0007584 GO:0009897 GO:0009986 GO:0010033 GO:0010035 GO:0010039 GO:0010042 GO:0016020 GO:0016021 GO:0016023 GO:0016032 GO:0016323 GO:0030316 GO:0030544 GO:0032526 GO:0033570 GO:0033572 GO:0035690 GO:0042127 GO:0042470 GO:0042802 GO:0042803 GO:0043231 GO:0044822 GO:0045780 GO:0046688 GO:0046718 GO:0048471 GO:0051087 GO:0055037 GO:0055038 GO:0070062 GO:0072562 GO:0097286 GO:1903561 GO:1990712
20.060.4276.350.050.684tweA GO:0003824 GO:0004180 GO:0005886 GO:0006508 GO:0008152 GO:0008233 GO:0008237 GO:0016020 GO:0016021 GO:0016324 GO:0016787 GO:0016805 GO:0046872
30.060.4186.710.060.683fedA GO:0003824 GO:0004180 GO:0005886 GO:0006508 GO:0008152 GO:0008233 GO:0008236 GO:0008237 GO:0008239 GO:0008652 GO:0016020 GO:0016021 GO:0016787 GO:0016805 GO:0042135 GO:0046872 GO:0050129
40.060.3637.370.070.643egwA GO:0005886 GO:0008940 GO:0009055 GO:0009061 GO:0009325 GO:0016020 GO:0016491 GO:0030151 GO:0031224 GO:0031235 GO:0042126 GO:0042128 GO:0043546 GO:0044799 GO:0046872 GO:0051536 GO:0051539 GO:0055114
50.060.4086.900.060.681tmoA GO:0009055 GO:0016491 GO:0030151 GO:0042597 GO:0046872 GO:0050626 GO:0055114
60.060.4186.750.080.695f09A GO:0003824 GO:0004180 GO:0004181 GO:0005737 GO:0005886 GO:0005887 GO:0006508 GO:0006760 GO:0008152 GO:0008233 GO:0008237 GO:0008652 GO:0009986 GO:0016020 GO:0016021 GO:0016787 GO:0016805 GO:0035609 GO:0046872 GO:0070062 GO:1904492 GO:1904493
70.060.3546.590.040.572ivfA GO:0016491 GO:0030151 GO:0046872 GO:0051536 GO:0051539 GO:0055114
80.060.4106.530.050.665chcA GO:0016491 GO:0030151 GO:0046872 GO:0051536 GO:0051539 GO:0055114
90.060.4246.350.030.661kqfA GO:0008430 GO:0008863 GO:0009055 GO:0009061 GO:0009326 GO:0015944 GO:0016020 GO:0016491 GO:0030151 GO:0030288 GO:0036397 GO:0042597 GO:0043546 GO:0045333 GO:0046872 GO:0047111 GO:0051536 GO:0051539 GO:0055114
100.060.3616.410.060.572ek8A GO:0004177 GO:0006508 GO:0046872
110.060.4676.290.040.734v4cA GO:0016491 GO:0018706 GO:0030151 GO:0046872 GO:0055114
120.060.4086.930.060.684aayA GO:0016491 GO:0030151 GO:0046872 GO:0051536 GO:0051538 GO:0055114
130.060.3197.730.040.591h0hA GO:0008863 GO:0009055 GO:0016491 GO:0030151 GO:0042597 GO:0043546 GO:0045333 GO:0046872 GO:0047111 GO:0051536 GO:0051539 GO:0055114
140.060.3616.500.050.571dmrA GO:0009055 GO:0016491 GO:0030151 GO:0042597 GO:0046872 GO:0050626 GO:0055114
150.060.3537.050.050.623iibA GO:0046872
160.060.4136.430.040.641eu1A GO:0009055 GO:0016491 GO:0030151 GO:0042597 GO:0046872 GO:0050626 GO:0055114
170.060.3546.300.040.562vpwA GO:0016491 GO:0030151 GO:0046872 GO:0051536 GO:0051539 GO:0055114
180.060.3497.180.030.612e7zA GO:0008152 GO:0016491 GO:0016829 GO:0018818 GO:0030151 GO:0043546 GO:0046872 GO:0051536 GO:0051539 GO:0055114


Consensus prediction of GO terms
 
Molecular Function GO:0016836 GO:0043169
GO-Score 0.46 0.36
Biological Processes GO:0033013 GO:0018130 GO:1901362 GO:1901566 GO:0019438 GO:0044271
GO-Score 0.46 0.46 0.46 0.46 0.46 0.46
Cellular Component GO:0071944
GO-Score 0.47

(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.