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I-TASSER results for job id Rv3094c

[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 1 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
10.43 189 4iv6B FDA Rep, Mult 107,109,110,111,112,113,136,137,138,176,179,184,347,350,351,353,354,356,357,360
20.17 91 1egcB FAD Rep, Mult 247,249,256,259,261,262,325,326,329,332
30.16 72 1udyD CS8 Rep, Mult 80,83,84,107,112,114,211,215,218,219,222,293,302,351,352,353,357,361,364
40.08 40 3d9fD N6C Rep, Mult 83,87,218,221,225,351,352
50.02 9 3d9fA N6C Rep, Mult 87,218,351,352
60.02 9 2vigC COS Rep, Mult 106,109,112,218,222,352,353,357
70.01 8 3x0yA FMN Rep, Mult 80,84,107,109,110,136,138,179,184,348,350,351
80.01 3 2rfqC 1PS Rep, Mult 165,168,169,170
90.01 4 2ix5B CAA Rep, Mult 111,112,114,115,211,218,222,352,353,357,361,364,370,372,373
100.01 7 3pfdC IOD Rep, Mult 61,86,220,223,284,287
110.01 7 2c12C SPM Rep, Mult 48,61,64,83,86,87,88,218,221,224,352
120.00 1 3oibA IOD Rep, Mult 53,54,91
130.00 2 2rfqC 1PS Rep, Mult 124,125,193
140.00 1 3oibB IOD Rep, Mult 27,28,180
150.00 2 3pfdA IOD Rep, Mult 257,258,263
160.00 2 3pfdB IOD Rep, Mult 127,193,194,195
170.00 1 3oibA IOD Rep, Mult 172,175
180.00 1 2a1tC FAD Rep, Mult 133,135,136,174
190.00 1 3oibA IOD Rep, Mult 107,118,119,132,133
200.00 2 3pfdD IOD Rep, Mult 120,122,131

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
10.4221t9gC0.9071.670.1840.9501.3.99.3270
20.4141udyA0.9051.710.1790.9501.3.99.3270
30.3313mddA0.9051.690.1820.9501.3.99.3111,114,218,359
40.3202ix6A0.8811.950.1420.9391.3.3.6224
50.2452ix6E0.8811.950.1420.9391.3.3.6116
60.2391bucA0.9111.400.1780.9421.3.99.2NA
70.2361ukwA0.9011.660.1770.9441.3.99.3NA
80.2171rx0A0.8981.730.1850.9471.3.99.-NA
90.2141siqA0.8891.820.1480.9391.3.99.7NA
100.0601bucB0.9121.380.1810.9421.3.99.2136,356
110.0602pg0A0.8811.950.1610.9421.3.99.3NA
120.0602ebaA0.8811.780.1790.9281.3.99.7228,233
130.0603djlA0.8652.630.1130.9601.3.99.-NA
140.0601y2mB0.4585.970.0790.6894.3.1.24NA
150.0602z1qB0.9012.490.1850.9791.3.99.3NA
160.0603e04D0.4115.650.0720.5964.2.1.2275
170.0602fonB0.7983.640.1160.9551.3.3.6NA
180.0603d9dA0.8972.240.1500.9731.7.3.1224
190.0602jifA0.9061.530.1890.9441.3.99.-270
200.0601j3uA0.4105.520.0470.5884.3.1.1NA
210.0601ivhA0.9011.650.1660.9441.3.99.10348
220.0601w07B0.7993.630.1190.9551.3.3.6NA
230.0602r0nA0.8901.800.1480.9391.3.99.7113
240.0601h2aL0.4055.280.0910.5581.12.2.19,67
250.0602o6yA0.4535.790.0810.6524.3.1.-NA
260.0602wbiB0.8482.790.1360.9521.3.99.-NA
270.0601jqiA0.9131.540.1850.9501.3.99.2NA
280.0601jswB0.4085.490.0430.5824.3.1.1NA

(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
00.470.8641.680.190.914o5mC GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
10.460.8682.120.180.934u83A GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
20.440.8891.970.190.953oibA GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
30.430.8811.780.180.932ebaA GO:0000166 GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
40.430.8912.050.160.955af7B GO:0000166 GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
50.390.7973.020.210.913mxlB GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
60.390.9051.640.220.952d29A GO:0000166 GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
70.390.8961.730.200.944ktoA GO:0000166 GO:0003995 GO:0008152 GO:0008470 GO:0016491 GO:0016627 GO:0050660 GO:0055114
80.390.8901.560.190.933pfdC GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
90.390.8363.010.210.953mxlA GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
100.380.8801.990.140.944irnA GO:0000166 GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
110.370.8961.610.220.944n5fA GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
120.370.9171.620.190.964iv6B GO:0003995 GO:0004085 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
130.370.8333.020.210.954kcfA GO:0000166 GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
140.370.8951.630.190.944m9aB GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
150.370.9131.540.180.951jqiA GO:0000062 GO:0003995 GO:0004085 GO:0005739 GO:0005759 GO:0006629 GO:0006631 GO:0006635 GO:0008152 GO:0009055 GO:0016491 GO:0016627 GO:0031966 GO:0033539 GO:0042594 GO:0046359 GO:0050660 GO:0051289 GO:0051384 GO:0055088 GO:0055114
160.360.8902.370.170.973mkhA GO:0000166 GO:0008152 GO:0016627 GO:0050660 GO:0055114
170.360.8811.950.140.942ix6A GO:0000062 GO:0003995 GO:0003997 GO:0005777 GO:0005829 GO:0006629 GO:0006631 GO:0006635 GO:0008152 GO:0009055 GO:0009514 GO:0009793 GO:0016491 GO:0016627 GO:0033539 GO:0046459 GO:0050660 GO:0052890 GO:0055088 GO:0055114
180.360.8811.950.160.942pg0A GO:0000166 GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
190.360.8482.790.140.952wbiB GO:0000062 GO:0003995 GO:0004466 GO:0005634 GO:0005739 GO:0005743 GO:0005777 GO:0006635 GO:0008152 GO:0009055 GO:0016491 GO:0016627 GO:0017099 GO:0031966 GO:0033539 GO:0050660 GO:0052890 GO:0055088 GO:0055114 GO:0070991
200.360.8891.820.150.942r0mA GO:0000062 GO:0003995 GO:0004361 GO:0005739 GO:0005759 GO:0006554 GO:0006568 GO:0006637 GO:0008152 GO:0009055 GO:0016491 GO:0016627 GO:0019395 GO:0033539 GO:0046949 GO:0050660 GO:0052890 GO:0055088 GO:0055114
210.360.8742.020.200.943r7kA GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
220.350.8312.460.180.914w9uB GO:0003995 GO:0004361 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
230.350.9211.250.170.944l1fA GO:0000166 GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
240.350.9012.490.180.982z1qB GO:0000166 GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
250.340.9061.530.190.942jifA GO:0000062 GO:0003995 GO:0005739 GO:0005759 GO:0006629 GO:0006631 GO:0008152 GO:0009055 GO:0009083 GO:0016491 GO:0016627 GO:0033539 GO:0050660 GO:0052890 GO:0055088 GO:0055114 GO:0070062
260.340.8312.570.180.924xvxB GO:0000062 GO:0003995 GO:0008152 GO:0009055 GO:0016491 GO:0016627 GO:0016631 GO:0019540 GO:0033539 GO:0050660 GO:0052890 GO:0055088 GO:0055114
270.340.9061.680.180.952a1tC GO:0000062 GO:0003995 GO:0005634 GO:0005739 GO:0005759 GO:0005777 GO:0006629 GO:0006631 GO:0006635 GO:0008152 GO:0009055 GO:0016491 GO:0016627 GO:0019254 GO:0030424 GO:0033539 GO:0042802 GO:0045329 GO:0050660 GO:0051791 GO:0051793 GO:0052890 GO:0055088 GO:0055114 GO:0070062 GO:0070991
280.340.9051.690.180.953mddA GO:0000062 GO:0001889 GO:0003995 GO:0005739 GO:0005759 GO:0005777 GO:0005978 GO:0006082 GO:0006111 GO:0006629 GO:0006631 GO:0006635 GO:0007507 GO:0008152 GO:0009055 GO:0009409 GO:0009437 GO:0009791 GO:0016491 GO:0016627 GO:0019254 GO:0033539 GO:0042594 GO:0050660 GO:0051791 GO:0052890 GO:0055007 GO:0055088 GO:0055114 GO:0070991
290.340.8741.680.230.923nf4A GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
300.330.9111.400.180.941bucA GO:0003995 GO:0004085 GO:0006629 GO:0006631 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
310.330.8642.750.130.965ez3B GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
320.330.8852.050.200.945iduC GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
330.320.9102.300.150.983owaC GO:0000166 GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
340.320.8981.730.180.951rx0A GO:0000062 GO:0003995 GO:0005739 GO:0005759 GO:0006351 GO:0006355 GO:0006574 GO:0006629 GO:0008152 GO:0009055 GO:0009083 GO:0016491 GO:0016627 GO:0033539 GO:0050660 GO:0052890 GO:0055088 GO:0055114
350.310.9011.660.180.941ukwA GO:0000166 GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
360.310.9121.890.170.963mpiC GO:0000166 GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0019439 GO:0050660 GO:0055114
370.310.9011.650.170.941ivhA GO:0000062 GO:0003995 GO:0005739 GO:0005759 GO:0006552 GO:0008152 GO:0008470 GO:0009055 GO:0009083 GO:0016491 GO:0016627 GO:0033539 GO:0050660 GO:0052890 GO:0055088 GO:0055114
380.300.8013.300.240.932or0B GO:0008152 GO:0016627 GO:0050660 GO:0055114
390.300.8801.930.160.943sf6A GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
400.300.8742.140.180.943ii9C GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
410.300.8782.060.190.935jscA GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
420.300.8961.660.220.942dvlA GO:0000166 GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
430.290.8821.910.160.943swoA GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
440.280.8392.380.150.924x28C GO:0000062 GO:0003995 GO:0008152 GO:0009055 GO:0016627 GO:0033539 GO:0050660 GO:0052890 GO:0055088 GO:0055114
450.280.8972.240.150.973d9dA GO:0000166 GO:0003995 GO:0006807 GO:0008152 GO:0016491 GO:0016627 GO:0050141 GO:0050660 GO:0052664 GO:0055114 GO:0071949
460.280.8402.040.200.901r2jA GO:0000166 GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
470.270.8193.140.130.944rm7A GO:0003995 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
480.250.8642.850.120.964y9jB GO:0000062 GO:0000166 GO:0003995 GO:0005739 GO:0006629 GO:0006631 GO:0008152 GO:0009055 GO:0016491 GO:0016627 GO:0033539 GO:0050660 GO:0052890 GO:0055088 GO:0055114
490.220.8662.620.110.963u33A GO:0000062 GO:0003677 GO:0003995 GO:0005737 GO:0006974 GO:0008152 GO:0008470 GO:0009055 GO:0016491 GO:0016627 GO:0033539 GO:0043565 GO:0045892 GO:0050660 GO:0052890 GO:0055088 GO:0055114
500.190.8872.330.150.962uxwA GO:0000062 GO:0001659 GO:0003995 GO:0004466 GO:0005634 GO:0005730 GO:0005737 GO:0005739 GO:0005743 GO:0005759 GO:0006629 GO:0006631 GO:0006635 GO:0008152 GO:0009055 GO:0015980 GO:0016020 GO:0016491 GO:0016627 GO:0017099 GO:0030855 GO:0033539 GO:0036498 GO:0042645 GO:0042760 GO:0045717 GO:0046322 GO:0050660 GO:0052890 GO:0055088 GO:0055114 GO:0090181


Consensus prediction of GO terms
 
Molecular Function GO:0050660 GO:0003995
GO-Score 0.95 0.95
Biological Processes GO:0055114
GO-Score 0.95
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.