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I-TASSER results for job id Rv0272c

[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 1a8uA BEZ Rep, Mult 53,54,117,118,119,163,293,326
20.05 3 3pe6A ZYH Rep, Mult 53,54,56,117,118,119,166,249,251,254,255,265,266,269,289,290,326,354
30.05 3 1k8qA C11 Rep, Mult 53,54,118,119,221,253,326,354
40.05 3 1q0rA AKT Rep, Mult 118,119,122,161,162,163,174,175,206,295,296,298,300,326
50.04 2 3muoA ZPR Rep, Mult 50,73,115,117,118,161,365,369
60.02 1 2rauA CA Rep, Mult 108,110
70.02 1 5esrA MG Rep, Mult 71,369
80.02 1 3jweB F4P Rep, Mult 234,244,283,286,287,290
90.02 1 4fhvA MG Rep, Mult 116,118,155
100.02 1 1xrmA III Rep, Mult 229,232
110.02 1 3fyuC XYP Rep, Mult 249,250
120.02 1 1tk3B NAG Rep, Mult 28,79,95
130.02 1 4zxfC 4S7 Rep, Mult 53,54,55,118,119,163,166,223,227,228,249,278,292,293

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
10.2392ocgA0.5363.630.1240.6423.1.-.-114,118,120,125,162,317,324,332
20.1113hjuA0.6242.980.1520.7083.1.1.2364,118
30.1082r11D0.5763.630.0820.6823.1.1.1162
40.1041a88B0.5963.120.1350.6821.11.1.10161
50.1041a8qA0.5993.160.1050.6841.11.1.10118,324,353
60.1041va4A0.5973.090.1360.6793.1.1.2118
70.0981j1iA0.5622.810.1380.6343.7.1.8118
80.0963a2lA0.5893.750.0880.7163.8.1.5NA
90.0941mt3A0.6033.910.1320.7223.4.11.5NA
100.0931a7uA0.5903.170.1470.6761.11.1.10118,324,353
110.0881ehyA0.5763.760.0960.6873.3.2.10NA
120.0831iunB0.5783.310.0990.6683.7.1.9NA
130.0812pu5A0.5933.110.0700.6793.7.1.8368
140.0671auoA0.4512.640.1380.4963.1.1.174
150.0603e3aB0.5863.030.1190.6681.11.1.-NA
160.0602pl5A0.5903.770.0990.7082.3.1.31NA
170.0601y37A0.6043.820.1230.7293.8.1.385
180.0601c4xA0.5893.370.0930.6873.7.1.8118
190.0601ac5A0.6174.950.0760.8013.4.16.6118
200.0602og1A0.5943.060.0700.6793.7.1.8NA
210.0601a8sA0.5923.220.1250.6791.11.1.10118,324
220.0601ivyA0.6334.330.0710.7883.4.16.5NA
230.0601vj5A0.6063.920.1160.7293.3.2.10,3.3.2.3NA
240.0601b6gA0.5894.470.0950.7533.8.1.5NA
250.0603g0iA0.6154.290.0990.7613.3.2.3363
260.0603nwoA0.5893.850.1260.7063.4.11.5118
270.0602qvbB0.5883.800.1070.7163.8.1.5NA
280.0601azwA0.6224.030.1030.7643.4.11.5NA
290.0601a88A0.5973.090.1350.6821.11.1.10118,324
300.0601u2eA0.5973.160.0960.6843.7.1.-60
310.0602vf2A0.5913.440.1340.6923.7.1.882
320.0601zoiA0.5943.220.1280.6823.1.1.-118,161,324
330.0602cjpA0.5994.090.1260.7293.3.2.3NA

(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
00.360.5563.060.120.633pf8A GO:0016787
10.210.7311.780.110.774zwnB GO:0005737 GO:0005739 GO:0005741 GO:0005783 GO:0005811 GO:0006641 GO:0009966 GO:0016020 GO:0016787 GO:0019433 GO:0047372
20.180.5663.930.100.684pw0A GO:0016787
30.180.6003.220.120.694dgqA GO:0004601 GO:0016491 GO:0016691 GO:0055114 GO:0098869
40.170.5012.950.130.571ufoA GO:0016020 GO:0016021
50.160.5823.340.120.684ns4A GO:0016787 GO:0016788
60.160.4533.500.130.533ksrA GO:0004252 GO:0006508 GO:0008236 GO:0016787
70.160.5653.540.120.673qitB GO:0003824 GO:0008152 GO:0016740 GO:0031177
80.150.5953.280.150.691hkhA GO:0003824 GO:0004601 GO:0098869
90.150.6033.910.130.721mt3A GO:0004177 GO:0006508 GO:0008233 GO:0016787
100.120.6242.980.150.713hjuA GO:0004622 GO:0005654 GO:0005737 GO:0005789 GO:0005829 GO:0005886 GO:0006629 GO:0006631 GO:0006633 GO:0006954 GO:0009966 GO:0016020 GO:0016042 GO:0016787 GO:0019369 GO:0019433 GO:0019898 GO:0036155 GO:0042803 GO:0046464 GO:0047372 GO:0050727 GO:0051930 GO:0052689 GO:2000124
110.110.5973.090.140.681a88A GO:0003824 GO:0004601 GO:0016491 GO:0016691 GO:0055114 GO:0098869
120.110.5363.630.120.642ocgA GO:0005739 GO:0005741 GO:0006520 GO:0006805 GO:0009636 GO:0016787 GO:0047658 GO:0070062
130.100.5923.220.120.681a8sA GO:0003824 GO:0004601 GO:0016491 GO:0016691 GO:0055114 GO:0098869
140.100.5993.100.130.683fobA GO:0003824 GO:0004601 GO:0009636 GO:0016491 GO:0016691 GO:0016787 GO:0019806 GO:0055114 GO:0098869
150.100.5573.070.120.632wtmA
160.080.5763.260.120.662xmzA GO:0009234 GO:0016787 GO:0016829 GO:0070205
170.080.4502.920.140.514fhzA GO:0016787
180.080.6324.370.070.791cpyA GO:0000324 GO:0004180 GO:0004185 GO:0005773 GO:0006508 GO:0007039 GO:0008233 GO:0016787 GO:0046938 GO:0051603
190.080.5613.630.100.674htaA GO:0005634 GO:0005737 GO:0005829 GO:0009640 GO:0009704 GO:0016787 GO:0080167
200.070.6413.830.100.771k8qA GO:0004806 GO:0005576 GO:0006629 GO:0016042 GO:0016787 GO:0016788
210.070.4652.420.130.513trdA GO:0016787
220.070.6224.070.140.771qtrA GO:0004177 GO:0005737 GO:0006508 GO:0008233 GO:0016787
230.070.6334.140.110.781hlgA GO:0004806 GO:0005576 GO:0005739 GO:0006108 GO:0006629 GO:0006641 GO:0008289 GO:0016042 GO:0016615 GO:0016787 GO:0016788 GO:0055114
240.070.6093.870.100.753sk0A GO:0003824 GO:0009636 GO:0016787 GO:0018786
250.070.6334.330.070.791ivyA GO:0004180 GO:0004185 GO:0004308 GO:0005654 GO:0005764 GO:0005783 GO:0006508 GO:0006687 GO:0006886 GO:0008047 GO:0008233 GO:0016020 GO:0016787 GO:0031647 GO:0043085 GO:0043202 GO:0043231 GO:0051603 GO:0061684 GO:0070062 GO:0098575 GO:1904714
260.070.6154.160.100.754ci9A GO:0004180 GO:0004185 GO:0004308 GO:0005654 GO:0005764 GO:0005783 GO:0006508 GO:0006687 GO:0006886 GO:0008047 GO:0008233 GO:0016020 GO:0016787 GO:0031647 GO:0043085 GO:0043202 GO:0043231 GO:0051603 GO:0061684 GO:0070062 GO:0098575 GO:1904714
270.070.6103.670.110.724opmA GO:0004806 GO:0016787
280.070.6174.950.080.801ac5A GO:0004180 GO:0004185 GO:0005794 GO:0005802 GO:0006508 GO:0006915 GO:0008233 GO:0016020 GO:0016021 GO:0016787 GO:0051603
290.070.5993.160.100.681a8qA GO:0003824 GO:0004601 GO:0016491 GO:0017000 GO:0055114 GO:0098869
300.070.4512.640.140.501auoA GO:0016787 GO:0052689
310.070.5973.090.140.683heaA GO:0003824 GO:0004064 GO:0004601 GO:0016491 GO:0016787 GO:0055114 GO:0098869
320.070.4553.030.120.521fj2A GO:0002084 GO:0004622 GO:0005737 GO:0005739 GO:0005829 GO:0006629 GO:0006631 GO:0008474 GO:0016298 GO:0016787 GO:0042997 GO:0050999 GO:0070062


Consensus prediction of GO terms
 
Molecular Function GO:0016298 GO:0052689 GO:0004601
GO-Score 0.42 0.42 0.36
Biological Processes GO:0048583 GO:0007165 GO:0046464 GO:0023051 GO:0010646 GO:1990748
GO-Score 0.42 0.42 0.42 0.42 0.42 0.36
Cellular Component GO:0043232 GO:0031968 GO:0012505 GO:0031966
GO-Score 0.42 0.42 0.42 0.42

(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.