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I-TASSER results for job id Rv0610c

[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
10.09 8 1exvA 700 Rep, Mult 6,9,10,13,47
20.07 6 2iegA FRY Rep, Mult 8,9,10,21,25
30.04 3 2tpt0 III Rep, Mult 6,9,10,13,44,45,54,184,185,186
40.04 3 3njbB IOD Rep, Mult 371,372,375
50.04 3 4izvA 1HC Rep, Mult 365,366,367
60.02 2 3pe7A CA Rep, Mult 286,288
70.02 2 3thuA MG Rep, Mult 241,243,261,275
80.01 1 1gxbD POP Rep, Mult 10,12,20,21,22,23
90.01 1 3pfeA IMD Rep, Mult 346,353
100.01 1 1zxyA MG Rep, Mult 241,248
110.01 1 7mdhC ZN Rep, Mult 159,210
120.01 1 3vggA GLC Rep, Mult 180,184
130.01 1 2pokA BGC Rep, Mult 225,226,232,235,320,321,322
140.01 1 3hl2D NUC Rep, Mult 376,380
150.01 1 3e3nF AMP Rep, Mult 8,12,56
160.01 1 5d8pD FE2 Rep, Mult 357,365
170.01 1 1zykB BE2 Rep, Mult 16,17,20,59
180.01 1 2qjjA MG Rep, Mult 241,243,261,288
190.01 1 3m4oA C7P Rep, Mult 332,333,336
200.01 1 2o014 CLA Rep, Mult 103,377

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
10.0672elcD0.5704.900.1160.7772.4.2.1823
20.0671kgzB0.5635.000.1060.7742.4.2.18NA
30.0671k8eD0.5724.980.0950.7822.4.2.18NA
40.0671vquA0.5535.140.1210.7742.4.2.185
50.0602wk5A0.5125.000.0910.7042.4.2.411
60.0601n1hA0.3997.060.0400.6752.7.7.48NA
70.0601f6wA0.3856.400.0550.6103.1.1.13,3.1.1.32
80.0601brwA0.5005.280.0840.7092.4.2.2NA
90.0602dsjA0.4855.450.1170.6962.4.2.2NA
100.0602azdB0.4466.400.0760.7012.4.1.112
110.0602e9bA0.4166.960.0540.6993.2.1.41NA
120.0602fhbA0.3627.150.0290.6293.2.1.41NA
130.0602pflA0.3866.720.0430.6342.3.1.54200,205
140.0603cf4A0.3916.290.0650.6031.2.99.2NA
150.0601ygpA0.4536.170.0500.7042.4.1.140,178
160.0601zvwA0.5645.010.1220.7792.4.2.18NA
170.0603h5qA0.4745.670.0660.6962.4.2.218
180.0602veoB0.4096.000.0590.6263.1.1.346
190.0601azyA0.4875.640.0690.7092.4.2.411
200.0602qezF0.3877.060.0370.6654.3.1.729
210.0603gpbA0.4456.310.0880.6962.4.1.1NA
220.0602fhcA0.4137.330.0580.7303.2.1.415,47
230.0601aknA0.3876.420.0610.6163.1.1.13,3.1.1.3NA

(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
00.070.5934.920.130.815c2lA GO:0000162 GO:0000287 GO:0003824 GO:0004048 GO:0005576 GO:0005829 GO:0005886 GO:0008152 GO:0008652 GO:0009073 GO:0016740 GO:0016757 GO:0040007 GO:0046872
10.070.5684.950.110.772elcA GO:0000162 GO:0000287 GO:0004048 GO:0008152 GO:0008652 GO:0009073 GO:0016740 GO:0016757 GO:0046872
20.070.5635.000.110.771kgzB GO:0000162 GO:0000287 GO:0004048 GO:0008152 GO:0008652 GO:0009073 GO:0016740 GO:0016757 GO:0046872
30.070.5734.970.090.782gvqD GO:0000162 GO:0000287 GO:0003824 GO:0004048 GO:0005829 GO:0008152 GO:0008652 GO:0009073 GO:0016740 GO:0016757 GO:0046872
40.070.5555.100.120.774hkmB GO:0000162 GO:0000287 GO:0003824 GO:0004048 GO:0005829 GO:0008152 GO:0008652 GO:0009073 GO:0016740 GO:0016757 GO:0046872
50.070.5605.010.110.771vquA GO:0000162 GO:0000287 GO:0004048 GO:0008152 GO:0008652 GO:0009073 GO:0016740 GO:0016757 GO:0046872
60.070.5615.240.100.794gtnA GO:0000162 GO:0000287 GO:0004048 GO:0008152 GO:0008652 GO:0009073 GO:0016740 GO:0016757 GO:0046872
70.070.5085.140.100.714muoA GO:0003677 GO:0003723 GO:0005829 GO:0008152 GO:0016740 GO:0016757
80.070.5115.380.120.734ga5A GO:0003824 GO:0004645 GO:0005829 GO:0006196 GO:0006206 GO:0006213 GO:0006220 GO:0008152 GO:0009032 GO:0016208 GO:0016740 GO:0016757 GO:0016763 GO:0042301 GO:0046125
90.070.5125.000.090.702wk5A GO:0000002 GO:0001525 GO:0004645 GO:0005161 GO:0005829 GO:0006206 GO:0006213 GO:0006220 GO:0006260 GO:0006935 GO:0007275 GO:0008083 GO:0008152 GO:0009032 GO:0016154 GO:0016740 GO:0016757 GO:0016763 GO:0030154 GO:0043097 GO:0046135
100.070.4855.450.120.702dsjA GO:0004645 GO:0006206 GO:0006213 GO:0008152 GO:0016154 GO:0016740 GO:0016757 GO:0016763
110.060.3146.660.080.513undB GO:0003824 GO:0005737 GO:0008152 GO:0008676 GO:0009058 GO:0009103 GO:0016740 GO:0019294
120.060.2776.930.050.465dm3A GO:0003824 GO:0004356 GO:0006542 GO:0006807 GO:0016874
130.060.2796.800.060.474pxdA GO:0000256 GO:0006144 GO:0008152 GO:0009442 GO:0016787 GO:0016813 GO:0030145 GO:0042803 GO:0046872 GO:0047652
140.060.2296.350.060.362izpA GO:0005576 GO:0009405
150.060.2036.180.050.311delA GO:0000166 GO:0005524 GO:0016301 GO:0016310 GO:0016740 GO:0047507
160.060.2265.510.070.334ttpA GO:0000166 GO:0004140 GO:0005524 GO:0005737 GO:0015937 GO:0016301 GO:0016310 GO:0016740
170.060.2375.470.040.342pyuA GO:0000166 GO:0000287 GO:0005829 GO:0006163 GO:0009117 GO:0009143 GO:0016787 GO:0017111 GO:0046872 GO:0047429
180.060.2345.760.030.354xboA GO:0002128 GO:0003723 GO:0005737 GO:0005829 GO:0006396 GO:0008033 GO:0008168 GO:0008173 GO:0016740 GO:0032259 GO:0052665 GO:0052666


Consensus prediction of GO terms
 
Molecular Function GO:0016763 GO:0043169
GO-Score 0.58 0.58
Biological Processes GO:0006520 GO:1901607 GO:0046219 GO:0046394 GO:0006568
GO-Score 0.58 0.58 0.58 0.58 0.58
Cellular Component GO:0044444
GO-Score 0.37

(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.