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I-TASSER results for job id Rv2768c

[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
10.06 3 1m57G PEH Rep, Mult 22,24,31,85,89,90
20.04 2 3dtuC DXC Rep, Mult 92,95,96,99,154,157
30.04 2 2jstB HLT Rep, Mult 31,34,69
40.04 2 4zzbA XE Rep, Mult 110,140,143,144
50.04 2 1tqqA NCO Rep, Mult 133,137
60.04 2 3gjoA III Rep, Mult 150,154
70.02 1 3iilA MG Rep, Mult 8,9
80.02 1 2izzA NAD Rep, Mult 124,125
90.02 1 1cxpA UUU Rep, Mult 75,76
100.02 1 3ej8D H4B Rep, Mult 57,97
110.02 1 5buoA ZN Rep, Mult 109,139
120.02 1 4owfB III Rep, Mult 63,66,67,70,74
130.02 1 3omiA DMU Rep, Mult 156,159,323,324
140.02 1 3cvsC NUC Rep, Mult 130,131,132
150.02 1 2g381 III Rep, Mult 3,14,15,17,18,19,20,23,24,27,30,31,33,34,37,38,40,41,44,45,48,57,65,72,75,83,86,90,97,154,155,158,162,165,166,168,169,171,172,174
160.02 1 3d5aF MG Rep, Mult 34,37
170.02 1 3c9iC XE Rep, Mult 110,113
180.02 1 3ag3A PEK Rep, Mult 32,36,91
190.02 1 2r9rB PGW Rep, Mult 48,52
200.02 1 3nteA FE Rep, Mult 106,109

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
10.0602gtqA0.3447.010.0430.5813.4.11.2NA
20.0602o36A0.3387.310.0410.5913.4.24.15NA
30.0601uwkA0.3946.330.0700.6094.2.1.491,18,268
40.0601br2A0.3046.240.0480.4623.6.1.32NA
50.0601jroB0.3627.030.0640.6141.1.1.204NA
60.0601s4bP0.3377.290.0380.5893.4.24.1598,154
70.0601n63B0.3766.970.0550.6291.2.99.2NA
80.0602rd0A0.3606.210.0480.5582.7.1.153NA
90.0601m56A0.4006.390.0710.6321.9.3.137
100.0601w6jA0.3646.790.0430.6025.4.99.7153
110.0601qleA0.3966.420.0780.6291.9.3.137
120.0602fonB0.3896.270.0320.5891.3.3.645
130.0602o6yA0.3475.540.0870.4824.3.1.-NA
140.0601jqnA0.3617.170.0530.6224.1.1.31NA
150.0603ffzA0.3536.410.0390.5463.4.24.69NA
160.0601mhsA0.3405.810.0390.4873.6.3.6NA
170.0601y7910.3527.160.0510.6143.4.15.5154
180.0603btaA0.3496.150.0490.5303.4.24.69NA
190.0601w07B0.3886.250.0360.5861.3.3.670

(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
00.240.4191.760.300.444kxrB GO:0005576 GO:0009405 GO:0009986
10.140.3826.660.050.621occA GO:0004129 GO:0005506 GO:0005739 GO:0005743 GO:0006119 GO:0009055 GO:0009060 GO:0016020 GO:0016021 GO:0016491 GO:0020037 GO:0045277 GO:0046872 GO:0055114 GO:0070469 GO:1902600
20.090.4006.390.070.631m56A GO:0004129 GO:0005506 GO:0005507 GO:0005886 GO:0006119 GO:0006810 GO:0006811 GO:0009055 GO:0009060 GO:0015992 GO:0016020 GO:0016021 GO:0016491 GO:0020037 GO:0022900 GO:0046872 GO:0055114 GO:0070469 GO:1902600
30.060.4246.330.060.643ayfA GO:0004129 GO:0005506 GO:0009055 GO:0009060 GO:0016020 GO:0016021 GO:0020037 GO:0046872 GO:0055114 GO:1902600
40.060.3946.330.070.611uwkA GO:0005737 GO:0006547 GO:0006548 GO:0016153 GO:0016829 GO:0019556 GO:0019557
50.060.3806.440.060.602yevA GO:0004129 GO:0005506 GO:0005507 GO:0005886 GO:0006119 GO:0006810 GO:0006811 GO:0009055 GO:0009060 GO:0015002 GO:0015992 GO:0016020 GO:0016021 GO:0016491 GO:0020037 GO:0022900 GO:0022904 GO:0046872 GO:0055114 GO:0070469 GO:1902600
60.060.3916.410.070.612fknB GO:0005737 GO:0006547 GO:0006548 GO:0016153 GO:0016829 GO:0019556 GO:0019557
70.060.3966.420.080.631qleA GO:0004129 GO:0005506 GO:0005507 GO:0005886 GO:0006119 GO:0006810 GO:0006811 GO:0009055 GO:0009060 GO:0015992 GO:0016020 GO:0016021 GO:0016491 GO:0020037 GO:0022900 GO:0046872 GO:0055114 GO:0070469 GO:1902600
80.060.3866.730.060.631fftA GO:0004129 GO:0005506 GO:0005507 GO:0005886 GO:0005887 GO:0006811 GO:0009055 GO:0009060 GO:0009319 GO:0009486 GO:0015078 GO:0015453 GO:0015990 GO:0015992 GO:0016020 GO:0016021 GO:0016491 GO:0016682 GO:0019646 GO:0020037 GO:0046872 GO:0048039 GO:0055114 GO:0070469
90.060.3986.550.090.643eh3A GO:0004129 GO:0005506 GO:0005886 GO:0006119 GO:0006811 GO:0009055 GO:0009060 GO:0015992 GO:0016020 GO:0016021 GO:0016491 GO:0020037 GO:0046872 GO:0055114 GO:0070469 GO:1902600
100.060.3836.680.060.613o0rB GO:0004129 GO:0005506 GO:0005886 GO:0009055 GO:0009060 GO:0016020 GO:0016021 GO:0016491 GO:0016966 GO:0019333 GO:0020037 GO:0046872 GO:0055114 GO:0070469 GO:1902600
110.060.3816.510.060.615djqA GO:0004129 GO:0005506 GO:0005507 GO:0005886 GO:0005887 GO:0006119 GO:0009055 GO:0009060 GO:0015078 GO:0015990 GO:0015992 GO:0016020 GO:0016021 GO:0016491 GO:0016705 GO:0019411 GO:0019646 GO:0019825 GO:0020037 GO:0045154 GO:0045278 GO:0046872 GO:0055114 GO:0070069 GO:0070469 GO:0070470 GO:1902600
120.060.3116.710.040.501x87A GO:0005737 GO:0006547 GO:0006548 GO:0016153 GO:0016829 GO:0019556 GO:0019557
130.060.3236.500.040.524aayA GO:0016491 GO:0030151 GO:0046872 GO:0051536 GO:0051538 GO:0055114
140.060.3756.720.060.604xydA GO:0004129 GO:0005506 GO:0009055 GO:0009060 GO:0016020 GO:0016021 GO:0016491 GO:0016966 GO:0020037 GO:0055114 GO:0070469 GO:1902600
150.060.2687.240.040.461ivhA 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
160.060.2465.670.070.362vcvA GO:0004364 GO:0005737 GO:0005829 GO:0006749 GO:0008152 GO:0016740 GO:0070062 GO:1901687
170.060.2566.550.030.414v85AW GO:0000166 GO:0003924 GO:0005525 GO:0005737 GO:0005829 GO:0006412 GO:0006415 GO:0006449 GO:0016149 GO:0016150 GO:0019003
180.060.2425.450.090.354q5rA GO:0004364 GO:0016740


Consensus prediction of GO terms
 
Molecular Function GO:0046914 GO:0009055 GO:0016676 GO:0046906 GO:0015002 GO:0015078
GO-Score 0.54 0.54 0.54 0.54 0.54 0.54
Biological Processes GO:0098662 GO:0045333 GO:0015992 GO:0051704 GO:0046034 GO:0016310
GO-Score 0.54 0.54 0.54 0.47 0.43 0.43
Cellular Component GO:0031224 GO:0044464
GO-Score 0.43 0.39

(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.