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I-TASSER results for job id Rv2837c

[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
10.73 68 1k23D MN Rep, Mult 47,106,131,132,151,181
20.21 23 2eb0A MN Rep, Mult 41,45,48,106
30.03 4 2hawA F Rep, Mult 45,47,106,181
40.02 4 2enxB 2PN Rep, Mult 41,45,106,131,132,181,233,321,322
50.01 1 1i74A SO4 Rep, Mult 41,45,106,131,132,181,233
60.01 2 2eb0A MN Rep, Mult 41,45,48,106,233
70.01 2 1k200 III Rep, Mult 131,132,134,135,143,144,145,146
80.00 1 2enxA TRP Rep, Mult 55,127,129,142

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
10.1431i74A0.5524.380.1430.7023.6.1.145,54,131,181
20.0672hawB0.5634.380.1440.7143.6.1.1132,181
30.0671wppA0.5624.170.1350.7083.6.1.141,45,132
40.0601ja1A0.4465.320.0720.6461.6.2.4NA
50.0601ofdA0.3946.630.0510.6811.4.7.1NA
60.0601ycfA0.4216.330.0810.6761.7.99.7NA
70.0602bf4A0.4365.700.0450.6461.6.2.4NA
80.0601ho5A0.3727.050.0170.6673.1.3.5,3.6.1.45270
90.0602eb0B0.5334.270.1580.6733.6.1.145,146
100.0601tmoA0.4095.690.0390.6011.7.2.3NA
110.0601bxrA0.4115.900.0660.6226.3.5.5NA
120.0602ex0A0.4316.030.0580.6762.4.99.4,2.4.99.6,2.4.99.9NA
130.0601g8kE0.4374.770.0450.5951.20.98.1NA
140.0603dzcB0.4325.710.0810.6675.1.3.14157
150.0601g8kA0.4384.830.0450.5981.20.98.1NA
160.0601pg3B0.4276.190.0600.6646.2.1.1151,261
170.0601f20A0.3266.320.0400.5331.14.13.39176
180.0602eabA0.4096.330.0310.6733.2.1.63NA
190.0603dzcA0.4325.930.0710.6815.1.3.14NA
200.0601wpnB0.4742.550.1740.5303.6.1.145,132,181
210.0601oidA0.4226.680.0300.7323.6.1.45,3.1.3.5NA
220.0602nyaA0.4604.860.0480.6281.7.99.4NA

(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
00.670.9301.100.750.954ls9A GO:0003676 GO:0046872
10.600.6824.180.770.835cetA GO:0004518 GO:0004527 GO:0008441 GO:0016311 GO:0016787 GO:0040007 GO:0090305
20.540.7573.130.210.903devA GO:0003676 GO:0046872
30.470.5554.240.140.701k20A GO:0004427 GO:0005737 GO:0016462 GO:0016787 GO:0030145 GO:0046872
40.450.5624.280.140.711i74A GO:0004427 GO:0005737 GO:0016462 GO:0016787 GO:0030145 GO:0046872
50.450.5433.450.170.651k23D GO:0004427 GO:0005737 GO:0016462 GO:0016787 GO:0030145 GO:0046872
60.440.5644.220.120.752zxrA GO:0003676 GO:0003677 GO:0004518 GO:0004527 GO:0016787 GO:0046872 GO:0090305
70.420.5334.270.160.672eb0B GO:0004427 GO:0005737 GO:0016462 GO:0016787 GO:0030145 GO:0046872
80.380.5534.370.140.702enxA GO:0004427 GO:0005737 GO:0016462 GO:0016787 GO:0030145 GO:0046872
90.370.6114.810.150.832zxoA GO:0003676 GO:0003677 GO:0004518 GO:0004527 GO:0016787 GO:0046872 GO:0090305
100.280.7214.220.210.934py9A GO:0046872
110.070.5634.380.140.712hawB GO:0004427 GO:0005737 GO:0016462 GO:0016787 GO:0030145 GO:0046872
120.070.5715.370.130.825f55A GO:0003676 GO:0004527 GO:0006281 GO:0006310 GO:0008409 GO:0090305
130.070.5564.500.120.714rpaA GO:0004427 GO:0005737 GO:0016462 GO:0016787 GO:0030145 GO:0046872
140.060.3915.500.100.591iirA GO:0005975 GO:0008152 GO:0016740 GO:0016757 GO:0016758 GO:0017000 GO:0030259 GO:0033072
150.060.3656.380.060.601t90A GO:0004029 GO:0004491 GO:0008152 GO:0016491 GO:0016620 GO:0018478 GO:0019310 GO:0055114
160.060.3406.560.060.573g0tA GO:0003824 GO:0008483 GO:0009058 GO:0016740 GO:0030170
170.060.3196.720.060.543oqqA GO:0046872
180.060.3226.370.110.533vifA GO:0004553 GO:0005975 GO:0008152 GO:0008422 GO:0016787 GO:0016798 GO:0102483
190.060.2675.810.050.412zatA GO:0000253 GO:0001758 GO:0004090 GO:0005739 GO:0005777 GO:0016491 GO:0042574 GO:0055114
200.060.2804.280.040.373b9xC GO:0005509 GO:0005829 GO:0006152 GO:0006206 GO:0008152 GO:0008477 GO:0016787 GO:0016798 GO:0016799 GO:0042802 GO:0045437 GO:0046133 GO:0046872 GO:0050263
210.060.2736.420.070.454j6cA GO:0004497 GO:0005506 GO:0016491 GO:0016705 GO:0020037 GO:0046872 GO:0055114


Consensus prediction of GO terms
 
Molecular Function GO:0003676 GO:0004427 GO:0030145 GO:0008441 GO:0004527
GO-Score 0.85 0.71 0.71 0.60 0.60
Biological Processes GO:0016311 GO:0040007 GO:0090305
GO-Score 0.60 0.60 0.60
Cellular Component GO:0005737
GO-Score 0.71

(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.