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I-TASSER results for job id Rv0208c

[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
10.72 31 2vdvE SAM Rep, Mult 84,85,86,107,108,109,135,136,137,156,157,159
20.04 3 1d2hA SAH Rep, Mult 107,108,109,112,135,136,137,158
30.02 1 2fcaA K Rep, Mult 208,212,253

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
10.4873dxxA0.7451.560.3610.7912.1.1.3383,108,137,156,158,160,195,230,232,245
20.2661yzhB0.6502.710.2410.7572.1.1.33160,171,195
30.1493e05D0.4972.910.1260.5742.1.1.132113,132
40.0671f38A0.4873.080.1590.5672.1.1.-NA
50.0663e05B0.4922.850.1150.5672.1.1.132NA
60.0663lccA0.5183.490.1240.6432.1.1.-84,113
70.0662iftA0.4682.730.1210.5402.1.1.5287,90
80.0662cl5A0.5143.000.1160.5972.1.1.6NA
90.0663cbgA0.4912.580.1700.5552.1.1.-NA
100.0663grzB0.4642.860.1140.5402.1.1.-NA
110.0602pxxA0.5283.580.1010.6583.4.24.7198
120.0603ckkA0.5902.980.1580.6842.1.1.3383,136,158
130.0603g5tA0.5174.130.0870.6582.1.1.14589,92,104
140.0602fcaA0.6682.630.2080.7682.1.1.3384,137,160,171,195
150.0601mjfA0.5003.310.0750.5972.5.1.1684
160.0602b9eA0.5103.420.0660.6242.1.1.-NA
170.0602vdwG0.5163.930.1200.6502.7.7.50133,157
180.0602frxA0.5233.380.0890.6312.1.1.-NA
190.0601jq3A0.5163.710.1090.6312.5.1.1684,108,136,159
200.0602iipA0.5044.210.0960.6622.1.1.184,86,113
210.0603c6kD0.5073.660.0740.6352.5.1.22234
220.0602as0A0.5293.490.1040.6542.1.1.-168
230.0601u2zC0.5183.880.0740.6542.1.1.4384,86
240.0601l1eA0.4943.580.0890.6052.1.1.79NA
250.0602ex4A0.5073.320.0910.6162.1.1.-NA
260.0603bwmA0.5142.960.1410.5972.1.1.6NA
270.0601xcjA0.5203.840.1050.6502.1.1.2140
280.0602vdvF0.5933.410.1670.7032.1.1.3383,135,157,159
290.0602i62C0.5123.870.1130.6502.1.1.184,86,113,116

(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
00.420.7451.560.360.793dxxA GO:0006400 GO:0008033 GO:0008168 GO:0008176 GO:0016740 GO:0030488 GO:0032259 GO:0036265 GO:0043527
10.340.6682.630.210.772fcaA GO:0006400 GO:0008033 GO:0008168 GO:0008176 GO:0016740 GO:0032259 GO:0036265 GO:0043527
20.260.5902.980.160.683ckkA GO:0000049 GO:0003723 GO:0005634 GO:0005654 GO:0005730 GO:0005737 GO:0006400 GO:0008033 GO:0008168 GO:0008176 GO:0016740 GO:0030488 GO:0032259 GO:0036265 GO:0043527
30.260.6582.700.240.761yzhB GO:0006400 GO:0008033 GO:0008168 GO:0008176 GO:0016740 GO:0032259 GO:0036265
40.250.5933.410.170.702vdvE GO:0000049 GO:0003723 GO:0005634 GO:0005654 GO:0006400 GO:0008033 GO:0008168 GO:0008176 GO:0016740 GO:0030488 GO:0032259 GO:0036265 GO:0043527
50.170.4923.520.150.603mggB GO:0008168 GO:0016740 GO:0032259
60.150.5693.980.130.733mteA GO:0006400 GO:0008168 GO:0008176 GO:0016740 GO:0032259 GO:0036265 GO:0046677
70.120.4873.080.160.571f38A GO:0006479 GO:0008168 GO:0008276 GO:0009236 GO:0016740 GO:0032259 GO:0046140
80.120.5313.950.100.663kkzA GO:0046872 GO:0051536 GO:0051539
90.110.4943.580.090.601l1eA GO:0005737 GO:0006629 GO:0008168 GO:0008610 GO:0008825 GO:0009405 GO:0016740 GO:0032259 GO:0042783 GO:0046500 GO:0052167 GO:0071768
100.110.5494.090.160.714rx1A GO:0008168 GO:0016740 GO:0032259
110.110.5233.980.110.653e7pA GO:0046872 GO:0051536 GO:0051539
120.110.5184.060.100.663f4kA GO:0005737 GO:0008168 GO:0008757 GO:0016740 GO:0032259 GO:0046872 GO:0051536 GO:0051539
130.100.4933.620.120.614kifB GO:0008168 GO:0016740 GO:0017000 GO:0032259
140.100.4893.250.150.593sm3A GO:0008152 GO:0008168 GO:0016740 GO:0032259 GO:0046872
150.070.5273.710.060.663hemA GO:0001666 GO:0005737 GO:0005829 GO:0005886 GO:0006629 GO:0008168 GO:0008610 GO:0008825 GO:0016740 GO:0032259 GO:0046500 GO:0052167 GO:0071766 GO:0071768 GO:0071769
160.070.5264.100.090.673vc1D GO:0008152 GO:0008168 GO:0008169 GO:0008757 GO:0016740 GO:0032259 GO:0042214
170.070.4923.020.080.571o54A GO:0016429 GO:0030488 GO:0031515
180.070.4933.080.100.593dh0B GO:0005737 GO:0008757 GO:0032259 GO:0046872 GO:0051536 GO:0051539


Consensus prediction of GO terms
 
Molecular Function GO:0008176 GO:0000049
GO-Score 0.84 0.44
Biological Processes GO:0036265 GO:0030488
GO-Score 0.84 0.68
Cellular Component GO:0043527 GO:0043232 GO:0005654
GO-Score 0.79 0.53 0.44

(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.