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I-TASSER results for job id Rv2219A

[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
10.18 14 1x7bB III Rep, Mult 86,96,99,100,103,104
20.04 3 4xdkB 405 Rep, Mult 39,42,69,72,73,110,114
30.03 2 3phxA ZN Rep, Mult 127,130
40.03 2 3pyrY MG Rep, Mult 34,110,111
50.03 2 1fbmD RTL Rep, Mult 39,46
60.03 2 3olsB III Rep, Mult 39,44,65,68,69,73,136,137
70.03 2 4xk8l CLA Rep, Mult 85,110,114
80.03 2 4tnwQ POV Rep, Mult 45,49,102,103,106,107,114
90.01 1 3ob6A ARG Rep, Mult 36,40,44,105
100.01 1 1j95A TBA Rep, Mult 81,116
110.01 1 3um7B K Rep, Mult 13,14,81
120.01 1 2bsqH NUC Rep, Mult 137,139
130.01 1 4r7cA GLY Rep, Mult 35,39,113
140.01 1 3mioA PO4 Rep, Mult 122,123,126
150.01 1 3mi1B FE Rep, Mult 81,83
160.01 1 2hvjC L2C Rep, Mult 105,108,112
170.01 1 2wse1 CLA Rep, Mult 72,76
180.01 1 4amiA 2CV Rep, Mult 36,40

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
10.0603hf1B0.5344.710.0660.8141.17.4.1NA
20.0601aj8A0.4964.770.0460.8212.3.3.1NA
30.0601ctsA0.5104.080.0470.7932.3.3.1,4.1.3.7NA
40.0601h0nA0.5294.430.0580.7931.17.4.1NA
50.0602uw1B0.5114.750.0450.8291.14.99.6NA
60.0601o9iA0.4914.270.0290.7711.11.1.6NA
70.0603do6A0.5084.370.1020.7936.3.4.3NA
80.0603m9uA0.4903.420.1200.6572.5.1.10NA
90.0601jkuA0.4924.130.0610.7641.11.1.6NA
100.0603i9wA0.4954.040.0510.7362.7.13.3NA
110.0601otwA0.4944.740.0550.8071.3.3.11NA
120.0601rqiA0.5153.420.0440.7212.5.1.10NA
130.0601zvuA0.5034.070.0830.7715.99.1.-NA
140.0601xvgC0.5334.900.0950.8641.14.13.2547,112
150.0601xmeA0.5043.150.0920.6571.9.3.1NA
160.0601biqB0.4904.060.0300.7641.17.4.1NA
170.0603ipiA0.4943.210.0860.6792.5.1.-NA
180.0603ilwA0.5313.940.0720.8075.99.1.3NA
190.0602j2fA0.5134.850.0600.8501.14.19.2,1.14.99.6NA

(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
00.100.4954.040.050.743i9wA GO:0000155 GO:0000160 GO:0000166 GO:0004673 GO:0004721 GO:0004871 GO:0005524 GO:0005622 GO:0005886 GO:0006470 GO:0007165 GO:0009061 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0016868 GO:0018106 GO:0023014 GO:0046777 GO:0071310
10.090.5034.430.040.782q6hA GO:0005215 GO:0005328 GO:0005887 GO:0006810 GO:0006836 GO:0015293 GO:0016020 GO:0016021 GO:0055085
20.070.5663.460.070.792x79A GO:0005215 GO:0016020 GO:0016021 GO:0055085
30.070.5544.300.080.874q2gB GO:0004605 GO:0005886 GO:0006629 GO:0006655 GO:0008654 GO:0016020 GO:0016021 GO:0016024 GO:0016740 GO:0016772 GO:0016779
40.070.5903.110.070.783ob6B GO:0003333 GO:0005886 GO:0005887 GO:0006810 GO:0006865 GO:0015171 GO:0015179 GO:0015181 GO:0015297 GO:0015807 GO:0016020 GO:0016021 GO:0051454 GO:1902475 GO:1903826
50.070.5483.560.030.744wd9A GO:0005886 GO:0006810 GO:0016020 GO:0016021
60.070.4634.800.060.774us3A GO:0005328 GO:0006810 GO:0006836 GO:0015293 GO:0016020 GO:0016021 GO:0055085
70.070.5733.730.090.783gi9C GO:0003333 GO:0005886 GO:0005887 GO:0015171 GO:0015179 GO:0015297 GO:0015807 GO:0016020 GO:0016021 GO:1902475
80.070.5743.470.040.795i6xA GO:0001666 GO:0005328 GO:0005335 GO:0005768 GO:0005829 GO:0005886 GO:0005887 GO:0006810 GO:0006836 GO:0006837 GO:0007268 GO:0007420 GO:0007584 GO:0007613 GO:0007623 GO:0008504 GO:0009636 GO:0010008 GO:0010033 GO:0010628 GO:0012505 GO:0015222 GO:0015293 GO:0015844 GO:0016020 GO:0016021 GO:0017022 GO:0017075 GO:0017137 GO:0019811 GO:0021794 GO:0021941 GO:0032227 GO:0032355 GO:0035176 GO:0042310 GO:0042493 GO:0042713 GO:0042803 GO:0043005 GO:0045121 GO:0045665 GO:0045787 GO:0046621 GO:0046872 GO:0048854 GO:0050998 GO:0051015 GO:0051259 GO:0051260 GO:0051610 GO:0055085 GO:0071300 GO:0071310 GO:0071321 GO:0098793
90.070.5054.010.070.743o1jA GO:0000155 GO:0000160 GO:0000166 GO:0004673 GO:0004871 GO:0005524 GO:0005622 GO:0007165 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0018106 GO:0023014
100.060.5233.730.070.794djiA GO:0003333 GO:0005886 GO:0005887 GO:0006810 GO:0006865 GO:0015171 GO:0015179 GO:0015297 GO:0015807 GO:0016020 GO:0016021 GO:0051454 GO:1902475
110.060.5563.630.070.763i9yA GO:0000155 GO:0000160 GO:0000166 GO:0004673 GO:0004871 GO:0005524 GO:0005622 GO:0007165 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0018106 GO:0023014
120.060.5753.220.070.783lrbA GO:0003333 GO:0005886 GO:0006810 GO:0006865 GO:0015171 GO:0015297 GO:0016020 GO:0016021
130.060.4414.940.050.804z3nA GO:0006855 GO:0015238 GO:0015297 GO:0016020 GO:0016021 GO:0055085
140.060.3385.530.050.644f2pB GO:0003824 GO:0008652 GO:0008782 GO:0008930 GO:0009086 GO:0009116 GO:0009164 GO:0016787 GO:0019284 GO:0019509
150.060.5054.450.080.824iojA GO:0000166 GO:0004329 GO:0005524 GO:0006730 GO:0009396 GO:0016874 GO:0035999
160.060.3684.720.020.613jysA GO:0046872
170.060.4834.320.030.744xp9C GO:0005328 GO:0005329 GO:0005330 GO:0005886 GO:0005887 GO:0006810 GO:0006836 GO:0015293 GO:0015872 GO:0016020 GO:0016021 GO:0019811 GO:0030431 GO:0042745 GO:0043005 GO:0046872 GO:0051583 GO:0055085 GO:0072488 GO:0098793 GO:0099509 GO:1990834
180.060.3294.950.050.563we7A GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0004721 GO:0000155 GO:0005524 GO:0016868 GO:0005328 GO:0004605 GO:0015181 GO:0015179 GO:0015297
GO-Score 0.10 0.10 0.10 0.10 0.09 0.07 0.07 0.07 0.07
Biological Processes GO:0018106 GO:0046777 GO:0006470 GO:0023014 GO:0071310 GO:0000160 GO:0009061 GO:0006836 GO:0006655 GO:0016024 GO:1903826 GO:1902475 GO:0015807 GO:0051454
GO-Score 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.09 0.07 0.07 0.07 0.07 0.07 0.07
Cellular Component GO:0071944 GO:0016021
GO-Score 0.44 0.34

(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.