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I-TASSER results for job id Rv1863c

[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
10.06 4 5abxA ZN Rep, Mult 237,241
20.05 3 2nwlA ASP Rep, Mult 145,216,217,222,233,236,237,240
30.03 2 2q69A CA Rep, Mult 180,189,190
40.03 2 3kbcA ASP Rep, Mult 155,157,165,168,169,218,221,222,225
50.03 2 2qeiA ALA Rep, Mult 167,169,172,173,174,216,217,218
60.03 2 1x07A MG Rep, Mult 149,226
70.03 2 2amhA MN Rep, Mult 145,237
80.03 2 2wsxC NM2 Rep, Mult 94,238,242,246
90.02 1 2q72A IXX Rep, Mult 95,219,233
100.02 1 1s5lT CLA Rep, Mult 215,218
110.02 1 2r9rB PGW Rep, Mult 219,223
120.02 1 2e75G OPC Rep, Mult 230,234
130.02 1 2xtvA MC3 Rep, Mult 142,145
140.02 1 2xy9A UUU Rep, Mult 150,153,154
150.02 1 3cz3B NUC Rep, Mult 233,236
160.02 1 3bz2J PL9 Rep, Mult 210,214,215
170.02 1 4lxwA MG Rep, Mult 145,220
180.02 1 3gjcB BOG Rep, Mult 227,230,233
190.02 1 2epfA ZN Rep, Mult 177,237
200.02 1 3mg9A OMY Rep, Mult 223,224,227

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
10.0601br2A0.3775.550.0380.6133.6.1.32NA
20.0601i1iP0.3885.790.0550.6333.4.24.16NA
30.0603bkkA0.4215.770.0620.6723.4.15.1NA
40.0601s6yA0.3935.690.0610.6063.2.1.8626,232
50.0603ljkA0.3966.310.0400.6845.3.1.9NA
60.0601t3tA0.4005.610.0440.6486.3.5.3144
70.0601aorB0.4125.910.0450.6951.2.7.5NA
80.0601s4bP0.3895.760.0390.6293.4.24.15NA
90.0602c6fA0.4255.870.0520.6843.4.15.1NA
100.0602o36A0.3925.840.0510.6373.4.24.15NA
110.0602wu8A0.4085.590.0530.6485.3.1.9NA
120.0601obbA0.3946.380.0380.6723.2.1.20NA
130.0601j38A0.4005.150.0320.6253.4.15.1153,170
140.0602pflA0.4235.770.0260.6842.3.1.54NA
150.0602nyfA0.4044.700.0780.5944.3.1.5NA
160.0601q50A0.4115.680.0610.6565.3.1.9149
170.0601h16A0.4175.790.0360.6992.3.1.54NA
180.0603hjbA0.4016.260.0430.6845.3.1.9NA
190.0602o2dB0.4056.030.0500.6885.3.1.9NA

(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
00.330.8241.930.130.894cadI GO:0004175 GO:0004662 GO:0005886 GO:0005887 GO:0006508 GO:0008233 GO:0016020 GO:0016021 GO:0016787 GO:0071586
10.070.5095.250.060.772yxrA GO:0005622 GO:0005886 GO:0006605 GO:0006810 GO:0015031 GO:0016020 GO:0016021 GO:0065002
20.070.5035.310.050.763bo0A GO:0005622 GO:0005886 GO:0006605 GO:0006810 GO:0015031 GO:0016020 GO:0016021 GO:0065002
30.070.4655.650.040.722wwbA GO:0005783 GO:0005789 GO:0006810 GO:0015031 GO:0016020 GO:0016021 GO:0030176 GO:0045047
40.070.4315.910.100.735awwY GO:0005622 GO:0005886 GO:0006605 GO:0006810 GO:0015031 GO:0016020 GO:0016021 GO:0043952 GO:0065002
50.070.4445.510.040.683jc21 GO:0005783 GO:0005789 GO:0006810 GO:0015031 GO:0016020 GO:0016021 GO:0030176 GO:0045047
60.070.4485.770.070.713dl8G GO:0005622 GO:0005886 GO:0006605 GO:0006810 GO:0015031 GO:0016020 GO:0016021 GO:0043952 GO:0065002
70.070.4266.010.100.735abbA GO:0005622 GO:0005886 GO:0005887 GO:0006605 GO:0006810 GO:0006886 GO:0015031 GO:0016020 GO:0016021 GO:0043952 GO:0065002
80.060.4315.900.070.725eulY GO:0005622 GO:0005886 GO:0006605 GO:0006810 GO:0015031 GO:0016020 GO:0016021 GO:0043952 GO:0065002
90.060.5245.110.090.762ww9A GO:0005048 GO:0005783 GO:0005789 GO:0006614 GO:0006810 GO:0008320 GO:0015031 GO:0016020 GO:0016021 GO:0071261 GO:0071806
100.060.3025.360.040.485ahzA GO:0005216 GO:0005886 GO:0006810 GO:0006811 GO:0007602 GO:0009881 GO:0016020 GO:0016021 GO:0018298 GO:0034220 GO:0050896
110.060.3406.280.050.591xvlA GO:0005886 GO:0006810 GO:0007155 GO:0010043 GO:0030001 GO:0046872
120.060.4245.980.080.703dinC GO:0005622 GO:0005886 GO:0006605 GO:0006810 GO:0015031 GO:0016020 GO:0016021 GO:0043952 GO:0065002
130.060.3084.740.110.433mp7A GO:0005622 GO:0005886 GO:0006605 GO:0006810 GO:0015031 GO:0016020 GO:0016021 GO:0065002
140.060.3056.420.050.554jooA GO:0001540 GO:0004175 GO:0004190 GO:0005768 GO:0005770 GO:0005771 GO:0005783 GO:0005788 GO:0005794 GO:0005802 GO:0005886 GO:0005887 GO:0006508 GO:0006509 GO:0008233 GO:0008798 GO:0009986 GO:0010008 GO:0016020 GO:0016021 GO:0016787 GO:0019899 GO:0030163 GO:0030424 GO:0030659 GO:0031410 GO:0044267 GO:0045121 GO:0050435 GO:0070931
150.060.2906.040.040.473twbC GO:0000287 GO:0003824 GO:0008152 GO:0009063 GO:0016052 GO:0016829 GO:0046872 GO:0047929
160.060.2895.680.060.483t6cA GO:0000287 GO:0003824 GO:0008152 GO:0009063 GO:0016052 GO:0016829 GO:0046872 GO:0047929
170.060.2736.270.030.484ihcB GO:0000287 GO:0003824 GO:0008152 GO:0008927 GO:0009063 GO:0016052 GO:0016829 GO:0046872 GO:0047929
180.060.2444.860.080.343eliA GO:0006950


Consensus prediction of GO terms
 
Molecular Function GO:0004175 GO:0004662
GO-Score 0.34 0.34
Biological Processes GO:0006886 GO:0071806 GO:1902582 GO:0071586
GO-Score 0.37 0.37 0.37 0.34
Cellular Component GO:0005887
GO-Score 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.