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I-TASSER results for job id Rv1097c

[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 7 3hq9A HEM Rep, Mult 85,163,166,167,187,188,233,234,235,236,238,259,264,271,280
20.07 3 5c2wF CA Rep, Mult 80,82,83,234
30.04 2 1iqcD HEM Rep, Mult 69,71,72,74,80,83,84,85,98,102,105,106,109,127,131,234
40.04 2 5c2vC CA Rep, Mult 70,71,244,245
50.02 1 2zyqB TAR Rep, Mult 147,148
60.02 1 1wsgD MN Rep, Mult 228,229
70.02 1 3a1eA MG Rep, Mult 259,260
80.02 1 3f1f1 MG Rep, Mult 229,235
90.02 1 2b92B MG Rep, Mult 198,226,259
100.02 1 1lajA NUC Rep, Mult 205,209
110.02 1 1a3uA CA Rep, Mult 236,259,260
120.02 1 1l8tA MG Rep, Mult 33,243
130.02 1 1g42A CP2 Rep, Mult 250,251
140.02 1 3o52C TAR Rep, Mult 225,228

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
10.0603ikmD0.3726.570.0550.6522.7.7.7181
20.0602g25A0.3376.120.0550.5531.2.4.1NA
30.0601k3iA0.3396.510.0390.5971.1.3.9NA
40.0602vhdB0.5404.590.0590.7071.11.1.571,105
50.0603cskA0.3886.720.0500.7073.4.14.477
60.0603dt7A0.3805.980.0500.6284.1.1.3264
70.0601iqcA0.5364.360.0760.6831.11.1.5NA
80.0602fahA0.3816.120.0530.6354.1.1.32NA
90.0601nmlA0.5444.510.0500.7171.11.1.5NA
100.0602uv8G0.3946.370.0330.6792.3.1.86NA
110.0601iqcD0.5374.330.0760.6831.11.1.571
120.0601mswD0.3326.790.0430.5902.7.7.6NA
130.0603bznA0.4126.360.0740.7035.4.4.2NA
140.0602fuvA0.3726.410.0320.6425.4.2.2NA
150.0601l8aA0.3076.720.0120.5431.2.4.1NA
160.0602pmgB0.3926.450.0620.6765.4.2.2NA
170.0602vycA0.3856.380.0620.6694.1.1.19NA
180.0602cseW0.4025.930.0340.6523.6.4.13NA
190.0603hq7A0.5114.320.0820.6591.11.1.5NA

(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
00.200.8792.410.090.965c2vC GO:0009055 GO:0020037 GO:0044222
10.070.5564.550.070.733hq6A GO:0004130 GO:0004601 GO:0009055 GO:0016491 GO:0020037 GO:0046872 GO:0055114 GO:0098869
20.070.5454.410.080.704aamA GO:0004130 GO:0004601 GO:0009055 GO:0016491 GO:0020037 GO:0046872 GO:0055114 GO:0098869
30.070.5444.510.050.721nmlA GO:0009055 GO:0016491 GO:0020037 GO:0046872 GO:0055114
40.070.5544.620.070.734fa4B GO:0009055 GO:0016491 GO:0020037 GO:0042597 GO:0046872 GO:0055114
50.070.5394.590.060.712vhdA GO:0004130 GO:0004601 GO:0009055 GO:0016491 GO:0020037 GO:0042597 GO:0046872 GO:0055114 GO:0098869
60.070.5324.480.080.693o5cA GO:0004130 GO:0004601 GO:0009055 GO:0016491 GO:0020037 GO:0046872 GO:0055114 GO:0098869
70.070.5394.500.070.702c1vA
80.070.5304.430.080.694aaoA GO:0004130 GO:0004601 GO:0009055 GO:0016491 GO:0020037 GO:0046872 GO:0055114 GO:0098869
90.070.5364.360.080.681iqcA GO:0004130 GO:0004601 GO:0009055 GO:0016491 GO:0020037 GO:0042597 GO:0046872 GO:0055114 GO:0098869
100.070.5054.830.080.691zzhB
110.070.5114.320.080.663hq7A GO:0004130 GO:0004601 GO:0009055 GO:0016491 GO:0020037 GO:0046872 GO:0055114 GO:0098869
120.060.2716.210.040.453ooxA GO:0016491 GO:0046872 GO:0055114
130.060.2795.940.030.452pyxA GO:0000166 GO:0016491 GO:0055114
140.060.2246.180.040.384ij3A GO:0000139 GO:0002576 GO:0003756 GO:0005576 GO:0005615 GO:0005794 GO:0016020 GO:0016021 GO:0016242 GO:0016491 GO:0016971 GO:0016972 GO:0030173 GO:0031093 GO:0043231 GO:0045171 GO:0045454 GO:0055114 GO:0070062
150.060.2095.670.030.332dypD GO:0002250 GO:0002376 GO:0002578 GO:0002645 GO:0002666 GO:0002767 GO:0002774 GO:0004872 GO:0005615 GO:0005737 GO:0005886 GO:0005887 GO:0006955 GO:0006968 GO:0007165 GO:0007166 GO:0007267 GO:0008157 GO:0009986 GO:0016020 GO:0016021 GO:0023029 GO:0032396 GO:0032755 GO:0034113 GO:0042102 GO:0042130 GO:0042288 GO:0045591 GO:0050776 GO:0050777 GO:0050839 GO:0051926 GO:0071222 GO:2001198
160.060.2035.280.040.303i5fC GO:0005509 GO:0016459
170.060.1354.860.100.201cchA GO:0005506 GO:0009055 GO:0020037 GO:0042597 GO:0046872 GO:0055114
180.060.1673.140.010.20351cA GO:0005506 GO:0009055 GO:0020037 GO:0042597 GO:0046872 GO:0055114


Consensus prediction of GO terms
 
Molecular Function GO:0043169 GO:0009055 GO:0020037 GO:0003824
GO-Score 0.49 0.40 0.40 0.34
Biological Processes GO:0044710
GO-Score 0.49
Cellular Component GO:0044444 GO:0043231
GO-Score 0.41 0.41

(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.