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I-TASSER results for job id Rv0192

[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
10.17 9 5dccB 58U Rep, Mult 274,289,303,307,311,322,323,324,325,327
20.06 3 3cmvC ANP Rep, Mult 150,151,181
30.04 2 4qtfA 3V5 Rep, Mult 274,302,303,305,307,323,324,325
40.04 2 3psoA ZN Rep, Mult 307,325
50.04 2 1d4m1 MYR Rep, Mult 343,344
60.02 1 3aruA PNX Rep, Mult 327,332,333,336
70.02 1 2xgfC CO3 Rep, Mult 260,261,267
80.02 1 4afoB CO Rep, Mult 321,323
90.02 1 4k73A CA Rep, Mult 146,147,341
100.02 1 3as2A POY Rep, Mult 224,226,229,233,234,235
110.02 1 2h0bA CA Rep, Mult 227,231,247
120.02 1 3pyoL MG Rep, Mult 261,268
130.02 1 3turB 0JC Rep, Mult 140,154,342,361

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
10.0602nztA0.3406.770.0340.5602.7.1.1308
20.0601jqmB0.3446.860.0510.5983.6.5.3NA
30.0601yq2A0.3646.840.0470.6093.2.1.23NA
40.0602vumB0.2937.160.0420.5142.7.7.6NA
50.0603btaA0.3716.540.0200.6013.4.24.69337
60.0603gm8A0.3406.990.0510.5933.2.1.-245
70.0603dnyT0.2537.120.0640.4453.6.5.3300
80.0603hz3A0.3477.150.0270.6152.4.1.5225,238,240
90.0602qf7A0.3637.480.0390.6726.4.1.1NA
100.0602e28A0.3396.820.0560.5682.7.1.40329
110.0602vdcA0.3627.130.0480.6391.4.1.13NA
120.0601edqA0.3716.900.0690.6453.2.1.14NA
130.0601f13A0.3496.640.0530.5712.3.2.13307
140.0601efgA0.2666.660.0540.4323.6.5.3315
150.0601darA0.3126.900.0590.5273.6.5.3NA
160.0601qhaA0.2797.110.0740.4942.7.1.1227
170.0601ordA0.3466.850.0180.5984.1.1.17NA
180.0603gtgB0.3536.950.0160.6122.7.7.6NA
190.0602je8B0.3637.280.0370.6583.2.1.25NA

(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
00.430.8152.020.280.874z7aA GO:0016740
10.350.7373.570.390.874qr7A GO:0005886 GO:0008360 GO:0009252 GO:0016020 GO:0016740 GO:0016746 GO:0046872 GO:0071555
20.320.5172.470.420.574jmnA GO:0005576 GO:0006508 GO:0008360 GO:0009252 GO:0016740 GO:0016746 GO:0018104 GO:0042597 GO:0071555 GO:0071972
30.310.4962.820.400.564k73A GO:0008360 GO:0009252 GO:0016740 GO:0016746 GO:0071555
40.310.5012.810.420.574xvoA GO:0016740
50.100.3104.040.190.374xxtA GO:0004180 GO:0006508 GO:0016740 GO:0016787
60.080.3194.210.150.404a52A GO:0008360 GO:0009252 GO:0016740 GO:0016757 GO:0016787 GO:0030435 GO:0031160 GO:0071555
70.060.3613.180.200.412hklA GO:0016020 GO:0016021 GO:0016740
80.060.2806.890.050.481d7fA GO:0003824 GO:0005576 GO:0005975 GO:0016740 GO:0016757 GO:0030246 GO:0043169 GO:0043895 GO:0046872 GO:2001070
90.060.2972.280.130.325bmqA GO:0016020 GO:0016021 GO:0016740
100.060.2982.900.110.334lzhA GO:0016740
110.060.2396.840.040.411rf4A GO:0003824 GO:0003866 GO:0005737 GO:0008652 GO:0009073 GO:0009423 GO:0016740 GO:0016765
120.060.1685.910.030.262c2pA GO:0004844 GO:0006281 GO:0006285 GO:0008263 GO:0019104
130.060.1024.550.030.141fm0D GO:0000166 GO:0005829 GO:0006777
140.060.1024.580.040.143ob9D GO:0003677 GO:0005634 GO:0005654 GO:0006338 GO:0006342 GO:0006351 GO:0006355 GO:0016568 GO:0016575 GO:0035064 GO:0035267 GO:0043968 GO:0043984 GO:0072487
150.060.0913.700.060.111whcA GO:0000502 GO:0005634 GO:0005737 GO:0005783 GO:0005829 GO:0030425 GO:0031397 GO:0031593 GO:0031625 GO:0032435 GO:0034098 GO:0036435 GO:0043025 GO:0043130 GO:0051117 GO:0071796 GO:1903094 GO:1904293 GO:2000157


Consensus prediction of GO terms
 
Molecular Function GO:0016746 GO:0046872 GO:0071972
GO-Score 0.69 0.35 0.32
Biological Processes GO:0071555 GO:0008360 GO:0006508 GO:0018104
GO-Score 0.69 0.69 0.32 0.32
Cellular Component GO:0005886 GO:0005576 GO:0042597
GO-Score 0.35 0.32 0.32

(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.