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I-TASSER results for job id Rv0273c

[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 23 3q0uA LL3 Rep, Mult 77,87,88,91,92,95,99,123,127,130,133,134,137,160,163,164,167,168,194
20.09 22 3br0A MGR Rep, Mult 99,102,109,127,130,131,157,160,165
30.09 22 3q3sA O8B Rep, Mult 74,88,91,92,95,99,106,110,123,127,130,133,134,160,163,164,167,168,194
40.07 18 1jumA BER Rep, Mult 66,67,70,98,102,127,130,161
50.06 10 1jt0A QNA Rep, Mult 33,34,45,49,54,55
60.04 9 3angD DCC Rep, Mult 165,169,173,174,176,177
70.04 9 1jt0D QNA Rep, Mult 11,12,42,43,44,45,46,47,50,51
80.04 9 1vi0A DCC Rep, Mult 63,66,67,95,98,109,113,120,124,127,128,131,153,154,156,157,160
90.02 5 3aqtB RCO Rep, Mult 74,88,91,92,95,133,134,137,160
100.02 4 1qvuA ET Rep, Mult 103,107,110,114,127,130,161
110.02 4 3btjB DEQ Rep, Mult 106,109,168,169
120.01 3 2i10B NPO Rep, Mult 127,128,157
130.01 2 3lsrA QNA Rep, Mult 33,34,35,39,45,46,49
140.01 2 2np5C NDS Rep, Mult 113,114,116,120
150.01 2 2qop0 III Rep, Mult 27,28,120,123,124,154,157,158,160,161,162,165,166,168,169,172,173,177,185,188,189,191,193,196,197,200
160.00 1 3qbmA MG Rep, Mult 115
170.00 1 3lsjA COA Rep, Mult 87,91,139,194,195,198
180.00 1 1jt00 III Rep, Mult 158,161,162,164,165,166,168,169,170,186,189,190,193,194,196
190.00 1 3lsjA COA Rep, Mult 82,87,143,195,196,199
200.00 1 3angB DCC Rep, Mult 169,173,177,182,185,189

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
10.0602qllA0.4535.470.0600.7432.4.1.187
20.0602ze0A0.4574.600.0570.6803.2.1.20NA
30.0601zd3A0.4135.090.0380.6553.3.2.10131
40.0602qtcB0.4585.620.0530.7621.2.4.1NA
50.0601o58A0.4344.960.0620.7042.5.1.4754
60.0602g25A0.4595.610.0800.7671.2.4.1NA
70.0601tiwA0.3575.070.0310.5481.5.1.12,1.5.99.893,190
80.0602r72A0.4635.350.0280.7772.7.7.48NA
90.0602i2xA0.4365.170.0690.7142.1.1.9028
100.0603i39X0.4675.100.0440.7431.2.99.2NA
110.0601vj5A0.4285.040.0570.6753.3.2.10,3.3.2.3NA
120.0602x38A0.4364.970.0700.6752.7.1.15336
130.0603c46B0.3776.210.0630.7232.7.7.6191
140.0601e1yA0.4535.490.0490.7482.4.1.187
150.0601m54A0.4374.940.0690.7044.2.1.22NA
160.0601uyrA0.4534.870.0610.6996.4.1.2,6.3.4.14NA
170.0601m7xB0.4495.220.0410.7142.4.1.18NA
180.0601l8aA0.4615.660.0800.7721.2.4.1NA
190.0603g0bB0.4355.370.0490.7333.4.14.5NA

(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
00.400.7193.060.120.891jt0A GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0045892
10.360.8152.250.150.903vprA GO:0003677 GO:0006351 GO:0006355 GO:0042802
20.350.7352.660.130.882np5A GO:0003677 GO:0006351 GO:0006355
30.340.6484.080.140.931rktA GO:0003677 GO:0006351 GO:0006355
40.330.7013.230.160.903ppbA GO:0003677 GO:0006351 GO:0006355
50.320.6483.000.100.824aciB GO:0000287 GO:0003677 GO:0006351 GO:0006355 GO:0046872
60.310.8791.340.160.933himB GO:0003677 GO:0006351 GO:0006355
70.300.7213.150.130.923vibC GO:0003677 GO:0006351 GO:0006355
80.300.7352.910.140.912wuiA GO:0003677 GO:0006351 GO:0006355
90.300.7122.780.130.852iaiA GO:0003677 GO:0006351 GO:0006355
100.290.7323.090.140.913lwjA GO:0003677 GO:0006351 GO:0006355
110.280.7722.750.120.933bcgA GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0008144 GO:0042493 GO:0043565 GO:0045892
120.280.7082.780.130.872zcnD GO:0003677 GO:0006351 GO:0006355
130.280.5993.740.110.832np3B GO:0003677 GO:0006351 GO:0006355
140.280.6803.510.100.892hytA GO:0003677 GO:0006351 GO:0006355
150.280.7822.750.120.933lhqA GO:0003677 GO:0003700 GO:0006351 GO:0006355
160.280.7472.750.170.914pxiB GO:0003677 GO:0006351 GO:0006355
170.280.7082.970.130.893geuA GO:0003677 GO:0006351 GO:0006355
180.270.7752.790.200.924w97A GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0010468 GO:0019217
190.260.7662.730.130.893ccyA GO:0003677 GO:0006351 GO:0006355
200.260.6973.380.150.914me9A GO:0003677 GO:0006351 GO:0006355
210.260.7412.700.160.902genA GO:0003677 GO:0003700 GO:0006351 GO:0006355
220.260.7632.390.180.883f1bA GO:0003677 GO:0006351 GO:0006355
230.250.7552.780.180.913whcA GO:0003677 GO:0005737 GO:0006351 GO:0006355 GO:0006629 GO:0006631 GO:0016042
240.250.6723.830.100.903angC GO:0003677 GO:0006351 GO:0006355
250.240.7343.230.140.923s5rA GO:0003677 GO:0006351 GO:0006355
260.240.7242.860.120.893dewA GO:0003677 GO:0006351 GO:0006355 GO:0016020 GO:0016021
270.240.7613.080.130.914mxmA GO:0003677 GO:0006351 GO:0006355
280.240.6144.020.120.833b81A GO:0003677 GO:0006351 GO:0006355
290.230.7482.910.130.932uxhA GO:0003677 GO:0006351 GO:0006355
300.230.7302.950.090.903nnrA GO:0003677 GO:0006351 GO:0006355
310.230.7152.310.120.832eh3A GO:0003677 GO:0003700 GO:0006351 GO:0006355 GO:0046872
320.230.6173.510.120.813ni7A GO:0003677 GO:0006351 GO:0006355
330.220.6823.340.180.873cdlB GO:0003677 GO:0006351 GO:0006355
340.220.7103.160.170.892ibdA GO:0003677 GO:0006351 GO:0006355
350.220.7293.450.110.942id6A GO:0003677 GO:0006351 GO:0006355
360.220.6903.150.140.873dcfA GO:0003677 GO:0006351 GO:0006355
370.220.7243.230.140.933qbmA GO:0003677 GO:0003700 GO:0006351 GO:0006355
380.210.5884.020.090.813bniA GO:0003677 GO:0006351 GO:0006355
390.210.6963.500.100.913rh2A GO:0003677 GO:0006351 GO:0006355
400.210.6313.910.080.863zqgA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677 GO:0046872
410.200.6323.740.110.843cjdA GO:0003677 GO:0006351 GO:0006355
420.200.6743.210.120.865dy0A GO:0003677 GO:0006351 GO:0006355
430.200.5953.910.080.823zqfA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677 GO:0046872
440.190.7032.980.100.863on4A GO:0003677 GO:0006351 GO:0006355
450.190.6733.670.080.895d18A GO:0003677 GO:0006351 GO:0006355
460.190.6283.860.150.872rasB GO:0003677 GO:0006351 GO:0006355
470.190.6533.770.120.893f0cA GO:0003677 GO:0006351 GO:0006355
480.190.6893.330.150.894l62A GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355
490.180.6163.990.090.844auxA GO:0003677 GO:0006351 GO:0006355 GO:0045892 GO:0046677 GO:0046872
500.180.6763.520.120.893mvpA GO:0003677 GO:0006351 GO:0006355
510.170.5664.450.070.822hxiB GO:0003677 GO:0006351 GO:0006355 GO:0045892
520.160.5673.870.120.792qwtA GO:0003677 GO:0006351 GO:0006355
530.160.5604.350.060.822of7A GO:0003677 GO:0006351 GO:0006355
540.160.6513.810.100.903gziA GO:0003677 GO:0006351 GO:0006355
550.160.5763.790.100.784hkuA GO:0003677 GO:0006351 GO:0006355
560.150.6233.950.110.862jj7B GO:0003677 GO:0006351 GO:0006355 GO:0042802
570.150.7523.070.120.943p9tA GO:0003677 GO:0006351 GO:0006355
580.150.6593.850.110.913hggA GO:0003677 GO:0006351 GO:0006355
590.150.6783.710.150.923bhqA GO:0003677 GO:0006351 GO:0006355
600.140.7372.770.130.902hyjA GO:0003677 GO:0003700 GO:0006351 GO:0006355
610.130.7123.360.090.913eupA GO:0003677 GO:0006351 GO:0006355
620.100.6653.580.130.893dpjA GO:0003677 GO:0006351 GO:0006355
630.100.6723.580.120.902fbqA GO:0000976 GO:0003677 GO:0003700 GO:0005829 GO:0006351 GO:0006355 GO:0044212 GO:0045893 GO:0050714
640.100.6523.790.100.892zcxA GO:0003677 GO:0006351 GO:0006355
650.070.5933.990.080.822raeA GO:0003677 GO:0006351 GO:0006355


Consensus prediction of GO terms
 
Molecular Function GO:0003677 GO:0003700 GO:0042802
GO-Score 0.89 0.40 0.36
Biological Processes GO:0045892
GO-Score 0.40
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.