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I-TASSER results for job id Rv3163c

[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
10.16 9 3bqmB BQM Rep, Mult 230,254,258,267,325,348,350,351,352,389,390,391,403
20.07 4 3ehtA III Rep, Mult 270,271,323,324,326
30.05 3 1g42A CP2 Rep, Mult 200,201
40.04 2 3kifD GDL Rep, Mult 207,208
50.02 1 3o8oB F6P Rep, Mult 233,234,235,272,352
60.02 1 1w1iH UUU Rep, Mult 213,214,215
70.02 1 1ytvA III Rep, Mult 248,255,294,295,296,297
80.02 1 1ytv0 III Rep, Mult 207,400,404,407,408
90.02 1 2vxaA RBF Rep, Mult 197,208
100.02 1 3eg9B III Rep, Mult 226,227,228,406,410
110.02 1 3eobJ ZN Rep, Mult 235,237,239,329
120.02 1 1i8nA ROP Rep, Mult 201,204
130.02 1 3k6sC CA Rep, Mult 136,137,193
140.02 1 3ehuA III Rep, Mult 231,232,298,349,350,352

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
10.0602vdcF0.3777.210.0500.6411.4.1.13325
20.0603k2wB0.3756.930.0730.6051.2.1.8NA
30.0602opxA0.3836.680.0630.6051.2.1.21,1.2.1.22380,405
40.0601zumI0.3706.310.0610.5651.2.1.3NA
50.0601o01C0.3796.740.0640.5981.2.1.3NA
60.0602vdcA0.3887.040.0500.6481.4.1.13NA
70.0602ve5A0.3716.830.0390.5931.2.1.8NA
80.0602vroB0.3916.540.0680.6101.2.1.3NA
90.0602j6lB0.3806.920.0550.6171.2.1.31,1.2.1.3NA
100.0601rtkA0.2407.410.0420.4183.4.21.47285
110.0603ifgA0.3756.790.0770.6011.2.1.16NA
120.0603jz4A0.3786.740.0830.6011.2.1.16NA
130.0602ok5A0.3705.370.0520.4993.4.21.47NA
140.0603fg0C0.3796.840.0850.6051.2.1.8NA
150.0601t90A0.3766.910.0570.6081.2.1.18,1.2.1.27NA
160.0601o20A0.3746.470.0330.5791.2.1.41NA
170.0601o0sA0.3746.960.0520.6121.1.1.38NA
180.0601wnbA0.3786.730.0880.6031.2.1.19,1.2.1.8NA
190.0602pffD0.3716.030.0440.5412.3.1.86256,258,260,325,327

(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
00.110.7112.710.090.783jbrF GO:0005244 GO:0005262 GO:0006810 GO:0006811 GO:0006816 GO:0016020 GO:0016021 GO:0034765 GO:0046872 GO:0070588
10.060.4185.410.040.571m2vB GO:0000139 GO:0005048 GO:0005737 GO:0005783 GO:0005789 GO:0005794 GO:0006810 GO:0006886 GO:0006888 GO:0008270 GO:0012507 GO:0015031 GO:0016020 GO:0016192 GO:0016236 GO:0030127 GO:0031410 GO:0046872 GO:0090110
20.060.4166.140.080.623eh2A GO:0000139 GO:0002474 GO:0005737 GO:0005783 GO:0005789 GO:0005794 GO:0005829 GO:0006810 GO:0006886 GO:0006888 GO:0008270 GO:0012507 GO:0015031 GO:0016020 GO:0016192 GO:0019886 GO:0030127 GO:0048208 GO:0048471
30.060.4175.330.080.583efoB GO:0000139 GO:0001701 GO:0002474 GO:0005737 GO:0005783 GO:0005789 GO:0005794 GO:0005829 GO:0006810 GO:0006886 GO:0006888 GO:0008270 GO:0012507 GO:0015031 GO:0016020 GO:0016192 GO:0019886 GO:0030127 GO:0048208 GO:0048471
40.060.4015.000.040.533eh1A GO:0000139 GO:0001843 GO:0002093 GO:0002474 GO:0003151 GO:0005215 GO:0005737 GO:0005783 GO:0005789 GO:0005794 GO:0005829 GO:0006810 GO:0006886 GO:0006888 GO:0008270 GO:0012507 GO:0015031 GO:0016020 GO:0016192 GO:0019886 GO:0021747 GO:0030127 GO:0030134 GO:0035909 GO:0048208 GO:0048471 GO:0060088 GO:0060425 GO:0060463 GO:0060982 GO:0061156 GO:0072358 GO:0090178 GO:1901301
50.060.3974.630.070.502ww8A GO:0016020 GO:0016021
60.060.4045.150.050.541pcxA GO:0000139 GO:0005048 GO:0005737 GO:0005783 GO:0005789 GO:0005794 GO:0006810 GO:0006886 GO:0006888 GO:0008270 GO:0012507 GO:0015031 GO:0016020 GO:0016192 GO:0016236 GO:0030127 GO:0031410 GO:0046872 GO:0090110
70.060.4005.040.050.533egdB GO:0000139 GO:0002474 GO:0005737 GO:0005783 GO:0005789 GO:0005794 GO:0005829 GO:0006810 GO:0006886 GO:0006888 GO:0008270 GO:0012507 GO:0015031 GO:0016020 GO:0016192 GO:0019886 GO:0030127 GO:0045714 GO:0048208 GO:0048471 GO:0050714 GO:2000189
80.060.3257.280.040.554bziA GO:0000139 GO:0003400 GO:0005096 GO:0005737 GO:0005783 GO:0005789 GO:0005794 GO:0006810 GO:0006886 GO:0006888 GO:0008270 GO:0012507 GO:0015031 GO:0016020 GO:0016192 GO:0016236 GO:0030127 GO:0031410 GO:0043547 GO:0046872
90.060.3914.780.050.513eg9A GO:0000139 GO:0002474 GO:0005783 GO:0005789 GO:0005794 GO:0005829 GO:0006810 GO:0006886 GO:0006888 GO:0008270 GO:0012507 GO:0015031 GO:0016020 GO:0016192 GO:0019886 GO:0030127 GO:0030134 GO:0030868 GO:0048208 GO:0048471
100.060.3652.630.100.404f1jA GO:0046872
110.060.3512.810.090.391n9zA GO:0001948 GO:0005615 GO:0005886 GO:0007155 GO:0007229 GO:0008305 GO:0009986 GO:0010668 GO:0016020 GO:0016021 GO:0030198 GO:0034142 GO:0046872 GO:0050900 GO:0070062
120.060.3463.030.090.393qa3I GO:0001948 GO:0005615 GO:0005886 GO:0007155 GO:0007229 GO:0008305 GO:0009986 GO:0010668 GO:0016020 GO:0016021 GO:0030198 GO:0034142 GO:0046872 GO:0050900 GO:0070062
130.060.3046.000.080.452h6eA GO:0004022 GO:0008270 GO:0016491 GO:0046872 GO:0055114
140.060.3525.690.070.504l4xA GO:0000166 GO:0003824 GO:0008152 GO:0016740 GO:0031177 GO:0048037
150.060.2717.890.020.491k1xA GO:0003824 GO:0004134 GO:0005975 GO:0005977 GO:0016740 GO:0016757 GO:0030246
160.060.3027.820.050.542bklB GO:0004252 GO:0006508 GO:0008236 GO:0070008
170.060.2784.950.070.362k5uA GO:0000166 GO:0003924 GO:0005525 GO:0005622 GO:0005794 GO:0006810 GO:0006888 GO:0006893 GO:0007264 GO:0015031 GO:0016192 GO:0016236
180.060.2416.940.060.401n1eA GO:0004367 GO:0005777 GO:0005975 GO:0006072 GO:0009331 GO:0016491 GO:0016616 GO:0020015 GO:0046168 GO:0051287 GO:0055114


Consensus prediction of GO terms
 
Molecular Function GO:0046914
GO-Score 0.47
Biological Processes GO:0034613 GO:0071702 GO:0045184 GO:0090114 GO:0006461 GO:0006901 GO:0048207 GO:0002495 GO:0002478
GO-Score 0.47 0.47 0.47 0.36 0.36 0.36 0.36 0.36 0.36
Cellular Component GO:0030658 GO:0044432 GO:0044431 GO:0042175 GO:0030134 GO:0030120
GO-Score 0.47 0.47 0.47 0.47 0.47 0.47

(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.