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I-TASSER results for job id Rv0691c

[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
10.12 24 3q0uA LL3 Rep, Mult 75,88,89,92,93,96,124,128,131,134,135,138,160,163,164,166,167,189
20.09 18 3q3sA O8B Rep, Mult 76,89,92,93,96,100,107,111,124,128,131,134,135,160,163,164,167,168,171,189
30.05 8 2ns8A III Rep, Mult 35,36,37,47,51,54,55,56,57
40.04 9 3br1A DEQ Rep, Mult 65,68,69,72,99,100,103,107,111,124,131
50.04 8 3angA DCC Rep, Mult 68,122,123,126,131,154,157,161,164
60.03 6 3anpD DCC Rep, Mult 165,168,169,173,176
70.03 5 1qpiA QNA Rep, Mult 46,48,49,52
80.02 5 5f0hA 5TC Rep, Mult 61,65,72,75,88,89,93,97,124,128,131,134,160,163,167,189
90.02 3 3q0vA LL4 Rep, Mult 76,84,85,88,89,92,128,134,135,138,160,163,189
100.02 5 3p9tA TCL Rep, Mult 65,68,93,114,115,127,128,131,135,159,160,163,167
110.01 3 3anpD DAO Rep, Mult 96,107,110,114,126,129,161,163,164
120.01 1 2rae0 III Rep, Mult 84,85,86,122,143,148,149,150,151,153,154,155,157,158,161,164,165,168,169,181,189,190,191,192,193,196,197,198
130.01 2 3lsrA NUC Rep, Mult 2,7,35,36,37,41,47,48,51
140.01 2 3btiA BER Rep, Mult 68,71,72,75,96,99,103,128,131
150.01 2 3lsrA QNA Rep, Mult 35,36,37,41,47,48,51
160.01 2 3angB DCC Rep, Mult 169,173,176,177,180,184
170.01 2 2zozA ET Rep, Mult 171,172
180.00 1 3lsjA COA Rep, Mult 85,88,144,190,191,194
190.00 1 3lsjA COA Rep, Mult 195,196,197
200.00 1 2np5A NDS Rep, Mult 63,66

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
10.0601bucB0.3944.490.0900.5911.3.99.253
20.0602qq5A0.4514.640.0280.6771.1.-.-NA
30.0602osxA0.4495.500.0760.7483.2.1.12334
40.0602uxwA0.4555.410.0660.7371.3.99.-NA
50.0601j0aA0.4584.830.0850.7123.5.99.7,4.1.99.4NA
60.0601jqiA0.4634.760.0660.7121.3.99.2NA
70.0601h7aA0.4675.010.0860.7371.17.4.2NA
80.0601peuA0.4495.080.0610.7631.17.4.1NA
90.0605r1rA0.4515.440.0780.7831.17.4.1NA
100.0601o58A0.4514.500.0860.6822.5.1.47NA
110.0602pulA0.4934.640.0550.7372.7.1.100NA
120.0601xjjA0.4535.320.0600.7731.17.4.139
130.0601h16A0.4924.870.0440.7632.3.1.54NA
140.0601rx0A0.4534.800.0440.6871.3.99.-NA
150.0602pflA0.4894.900.0550.7632.3.1.54153,155
160.0602d0tB0.4605.460.0260.7931.13.11.5252
170.0601z7wA0.4514.800.0630.7122.5.1.47NA
180.0602q3dA0.4494.760.1000.6972.5.1.47NA
190.0601rqxC0.4784.520.0670.7273.5.99.7NA

(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
00.450.9221.440.540.972raeA GO:0003677 GO:0006351 GO:0006355
10.320.6743.470.180.902of7A GO:0003677 GO:0006351 GO:0006355
20.300.6513.840.170.893lhqA GO:0003677 GO:0003700 GO:0006351 GO:0006355
30.270.6163.740.130.822hytA GO:0003677 GO:0006351 GO:0006355
40.260.6044.030.160.852np5A GO:0003677 GO:0006351 GO:0006355
50.250.7352.940.210.912dg7A GO:0003677 GO:0006351 GO:0006355
60.250.5934.090.110.842f07A GO:0003677 GO:0006351 GO:0006355
70.240.5804.250.110.834g12A GO:0003677 GO:0006351 GO:0006355
80.240.6173.970.150.863vprA GO:0003677 GO:0006351 GO:0006355 GO:0042802
90.240.5633.920.100.804aciB GO:0000287 GO:0003677 GO:0006351 GO:0006355 GO:0046872
100.220.6233.690.120.843bhqA GO:0003677 GO:0006351 GO:0006355
110.210.6563.690.180.883vibC GO:0003677 GO:0006351 GO:0006355
120.210.5854.310.140.863ppbA GO:0003677 GO:0006351 GO:0006355
130.210.6123.840.160.832np3B GO:0003677 GO:0006351 GO:0006355
140.210.6873.440.100.903lwjA GO:0003677 GO:0006351 GO:0006355
150.200.5814.010.070.811jt0A GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0045892
160.200.7192.950.200.894cgrA GO:0003677 GO:0006351 GO:0006355
170.190.5744.050.050.803aqtB GO:0003677 GO:0006351 GO:0006355
180.190.5714.110.100.822y31A GO:0003677 GO:0006351 GO:0006355 GO:0045892
190.190.5884.680.140.893ccyA GO:0003677 GO:0006351 GO:0006355
200.190.6233.750.090.844l62A GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355
210.180.6413.950.200.903bcgA GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0008144 GO:0042493 GO:0043565 GO:0045892
220.180.5254.280.120.782zozB GO:0003677 GO:0006351 GO:0006355
230.180.5344.210.100.762q24B GO:0003677 GO:0006351 GO:0006355
240.170.5274.640.100.793b81A GO:0003677 GO:0006351 GO:0006355
250.170.5684.320.120.852wuiA GO:0003677 GO:0006351 GO:0006355
260.170.6014.240.070.863on4A GO:0003677 GO:0006351 GO:0006355
270.170.6223.970.090.872qibA GO:0003677 GO:0003700 GO:0006351 GO:0006355
280.170.6163.330.140.812eh3A GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0046872
290.160.6194.110.110.871rktA GO:0003677 GO:0006351 GO:0006355
300.160.6383.720.150.873angC GO:0003677 GO:0006351 GO:0006355
310.160.5564.670.160.863dewA GO:0003677 GO:0006351 GO:0006355 GO:0016020 GO:0016021
320.160.5514.450.060.802o7tA GO:0003677 GO:0006351 GO:0006355
330.150.5774.090.110.803mvpA GO:0003677 GO:0006351 GO:0006355
340.150.5484.360.040.832zcnD GO:0003677 GO:0006351 GO:0006355
350.150.5904.280.090.872pbxA
360.150.6183.740.140.842genA GO:0003677 GO:0003700 GO:0006351 GO:0006355
370.150.5614.540.120.832ibdA GO:0003677 GO:0006351 GO:0006355
380.130.5744.260.090.845d1wD GO:0003677 GO:0006351 GO:0006355
390.120.5504.650.090.844me9A GO:0003677 GO:0006351 GO:0006355
400.120.5824.410.110.853pasB GO:0003677 GO:0006351 GO:0006355
410.120.6204.070.080.883g7rB GO:0003677 GO:0003700 GO:0006351 GO:0006355
420.120.5444.370.130.812oerB GO:0003677 GO:0006351 GO:0006355
430.120.5124.840.110.823vvxA GO:0003677 GO:0006351 GO:0006355
440.100.6643.700.130.913c07A GO:0003677 GO:0006351 GO:0006355
450.100.6603.460.130.863cwrA GO:0003677 GO:0006351 GO:0006355
460.100.5664.550.090.863kz9B GO:0003677 GO:0006351 GO:0006355
470.090.6833.340.100.883whcA GO:0003677 GO:0005737 GO:0006351 GO:0006355 GO:0006629 GO:0006631 GO:0016042
480.080.6053.840.110.843bjbB GO:0003677 GO:0006351 GO:0006355
490.080.6114.030.110.853bruA GO:0003677 GO:0006351 GO:0006355
500.080.6074.440.170.912fbqA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0044212 GO:0045893 GO:0050714
510.070.6303.400.090.821sgmA GO:0003677 GO:0006351 GO:0006355
520.070.6353.600.130.844yzeA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0045892
530.070.5993.930.080.843dpjA GO:0003677 GO:0006351 GO:0006355
540.070.5924.480.130.873s5rA GO:0003677 GO:0006351 GO:0006355
550.070.6074.310.100.892id6A GO:0003677 GO:0006351 GO:0006355
560.070.5694.200.130.823dcfA GO:0003677 GO:0006351 GO:0006355
570.070.6013.600.110.803knwA GO:0003677 GO:0006351 GO:0006355
580.070.6013.770.120.833cdlB GO:0003677 GO:0006351 GO:0006355
590.070.5933.840.070.813f0cA GO:0003677 GO:0006351 GO:0006355
600.070.5944.140.100.853qbmA GO:0003677 GO:0003700 GO:0006351 GO:0006355
610.070.5914.190.140.843himB GO:0003677 GO:0006351 GO:0006355
620.070.5824.380.170.863f1bA GO:0003677 GO:0006351 GO:0006355
630.070.5914.380.140.875f1jA GO:0003677 GO:0006351 GO:0006355
640.070.5944.000.110.823bqyA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677
650.070.5793.930.150.822zb9A GO:0003677 GO:0006351 GO:0006355
660.070.5844.110.150.854nn1A GO:0003677 GO:0003700 GO:0006351 GO:0006355
670.070.5594.300.100.812fd5A GO:0003677 GO:0003700 GO:0006351 GO:0006355
680.070.5994.100.110.854jykA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0045892 GO:0045893
690.070.5884.220.070.843npiA GO:0003677 GO:0006351 GO:0006355
700.070.5894.240.110.865d18A GO:0003677 GO:0006351 GO:0006355
710.070.5993.930.110.832fq4A GO:0003677 GO:0006351 GO:0006355
720.070.5574.250.110.832iu5A GO:0003677 GO:0006351 GO:0006355
730.070.5664.280.110.842zcxA GO:0003677 GO:0006351 GO:0006355
740.070.5524.200.130.824jl3C GO:0003677 GO:0006351 GO:0006355
750.070.5554.410.100.823nnrA GO:0003677 GO:0006351 GO:0006355
760.070.5804.280.110.834auxA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677 GO:0046872
770.070.5264.500.100.772i10B GO:0003677 GO:0006351 GO:0006355
780.070.5854.490.130.854pxiB GO:0003677 GO:0006351 GO:0006355
790.070.5574.540.100.833geuA GO:0003677 GO:0006351 GO:0006355
800.070.5414.600.120.843he0C GO:0003677 GO:0006351 GO:0006355
810.070.5165.260.120.863nrgA GO:0003677 GO:0003700 GO:0006351 GO:0006355


Consensus prediction of GO terms
 
Molecular Function GO:0003677 GO:0003700
GO-Score 0.86 0.30
Biological Processes GO:0006355
GO-Score 0.86
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.