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I-TASSER results for job id Rv0791c

[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
10.49 19 3b4yA F42 Rep, Mult 46,47,48,111,112,114,143,144,145,146,149,161,213,214,215,216,217,218,219,231,233,266
20.08 4 1luc1 III Rep, Mult 29,49,50,51,90,91,94,95,97,98,101,102,117,118,119,121,122,125,126,129,130,132,133,135,154,192,194,196,197,199,200,201
30.02 1 1rhcA ACN Rep, Mult 48,52,146,268
40.02 1 1yw1A GLC Rep, Mult 14,46,47,48,149
50.02 1 3b4yA FLC Rep, Mult 52,146,233,236,268,288
60.02 1 1ezwA MG Rep, Mult 100,103,104

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
10.3841nqkA0.7452.660.2030.8331.14.14.5145,164,169,213,217
20.2961xkjA0.7582.890.1760.8621.14.14.3NA
30.2831f07A0.7292.200.1990.7951.5.99.11112,115,117,165
40.2421ezwA0.7572.600.2050.8441.5.99.11213,232
50.1801xbzB0.4983.110.0890.5824.1.1.85123
60.1051xi3A0.4613.340.1100.5452.5.1.3NA
70.0972v81A0.4783.330.1190.5714.1.2.21NA
80.0811vlwB0.4693.300.1120.5594.1.3.16NA
90.0781tqxA0.4973.540.1060.5945.1.3.1NA
100.0701tqjC0.5013.400.0910.6025.1.3.147
110.0693exrA0.5013.230.0980.5914.1.1.85NA
120.0692fliC0.5033.280.1020.5945.1.3.1NA
130.0672czfA0.4832.870.1090.5534.1.1.2396
140.0673f4wA0.4883.010.0920.5654.1.2.-NA
150.0672cz5A0.4793.040.0980.5564.1.1.23NA
160.0673inpA0.4973.390.0970.5945.1.3.1NA
170.0671h1yB0.4893.450.0940.5825.1.3.1264
180.0671h1yA0.4873.430.0890.5825.1.3.1NA
190.0671v5xA0.4533.130.1070.5335.3.1.24NA
200.0661xi3B0.4593.350.1110.5422.5.1.3143,214
210.0603ii1A0.5903.980.0660.7353.2.1.4NA
220.0601z69C0.7442.200.2090.8131.5.99.11112,213
230.0601rhcA0.8291.480.2140.8621.1.99.5NA
240.0601tr1D0.5824.480.0690.7673.2.1.21NA
250.0601lucA0.7642.790.1640.8671.14.14.3NA
260.0601wcgA0.5814.390.0670.7553.2.1.147NA
270.0601itxA0.5745.160.0840.8013.2.1.14NA
280.0601myrA0.5774.630.0430.7753.2.1.147171,215
290.0601hp4A0.5844.390.0860.7673.2.1.52NA
300.0601reqA0.5864.280.0600.7645.4.99.222,146
310.0601qoxM0.5784.650.0650.7753.2.1.2199
320.0603fgcA0.7642.810.1640.8671.14.14.3NA
330.0602bfgA0.5734.270.0970.7383.2.1.37NA
340.0602gftB0.5954.550.0720.7903.2.1.89103,210
350.0602zoxA0.5794.650.0580.7693.2.1.21122,130
360.0602vrkA0.5884.620.0640.7813.2.1.55NA
370.0602eqdA0.5774.040.0710.7293.2.1.151NA
380.0601r8lB0.5944.530.0720.7873.2.1.89NA
390.0602e3zA0.5744.710.0750.7693.2.1.21NA

(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
00.420.7642.790.160.871lucA GO:0004497 GO:0008218 GO:0016491 GO:0016705 GO:0047646 GO:0055114
10.400.7642.720.200.862i7gB GO:0004497 GO:0016705 GO:0055114
20.400.7912.770.240.893raoB GO:0016705 GO:0055114
30.340.7493.330.180.885aecA GO:0004497 GO:0016491 GO:0016705 GO:0055114
40.330.8291.480.210.861rhcA GO:0016705 GO:0055114
50.320.7363.340.220.852b81C GO:0004497 GO:0005886 GO:0016491 GO:0016705 GO:0055114
60.310.8012.060.230.863c8nA GO:0004497 GO:0005618 GO:0005829 GO:0005886 GO:0005975 GO:0016491 GO:0016614 GO:0016705 GO:0045454 GO:0052749 GO:0055114 GO:0070967
70.310.7292.200.200.801f07A GO:0005737 GO:0006730 GO:0015948 GO:0016491 GO:0016705 GO:0018537 GO:0019386 GO:0055114
80.300.7073.230.140.824us5C GO:0004497 GO:0016705 GO:0055114
90.300.7663.350.180.891yw1A GO:0004497 GO:0016491 GO:0016705 GO:0055114
100.270.7452.190.210.811z69A GO:0005737 GO:0006730 GO:0015948 GO:0016491 GO:0016705 GO:0018537 GO:0019386 GO:0055114
110.250.7452.660.200.831nqkA GO:0004497 GO:0008726 GO:0009408 GO:0016491 GO:0016705 GO:0042802 GO:0046306 GO:0055114
120.250.7642.810.160.873fgcA GO:0004497 GO:0008218 GO:0016491 GO:0016705 GO:0047646 GO:0055114
130.250.7673.340.190.893sdoB GO:0004497 GO:0016491 GO:0016705 GO:0055114
140.210.7743.160.180.893sdoA GO:0004497 GO:0016491 GO:0016705 GO:0055114
150.190.7703.210.170.903b9nB GO:0000166 GO:0004497 GO:0016705 GO:0055114
160.150.7633.160.140.885dqpA GO:0004497 GO:0016705 GO:0055114
170.130.7572.600.200.841ezwA GO:0005737 GO:0006730 GO:0015948 GO:0016491 GO:0016705 GO:0018537 GO:0019386 GO:0055114
180.070.5344.910.060.745bxpA GO:0004553 GO:0004563 GO:0005975 GO:0008152 GO:0016020 GO:0016021 GO:0016787 GO:0016798 GO:0047403
190.060.4046.130.050.634bkqA GO:0004318 GO:0006629 GO:0006631 GO:0006633 GO:0016491 GO:0051287 GO:0055114
200.060.3827.040.050.694qa0A GO:0000118 GO:0000122 GO:0000228 GO:0004407 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0005886 GO:0006333 GO:0006351 GO:0006355 GO:0007062 GO:0008134 GO:0016568 GO:0016575 GO:0016787 GO:0030544 GO:0031397 GO:0031647 GO:0032041 GO:0032204 GO:0046872 GO:0051879 GO:0070932 GO:0071922
210.060.5834.270.090.763gh4A GO:0004553 GO:0004563 GO:0005975
220.060.3657.210.040.673sfhA GO:0000118 GO:0000122 GO:0000228 GO:0004407 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0005886 GO:0006333 GO:0006351 GO:0006355 GO:0007062 GO:0008134 GO:0016568 GO:0016575 GO:0016787 GO:0030544 GO:0031397 GO:0031647 GO:0032041 GO:0032204 GO:0046872 GO:0051879 GO:0070932 GO:0071922
230.060.3235.650.070.492iipA GO:0005737 GO:0005829 GO:0008112 GO:0008168 GO:0010243 GO:0016740 GO:0030760 GO:0031100 GO:0032259 GO:0042493
240.060.2994.730.060.404rshA GO:0016020 GO:0016021


Consensus prediction of GO terms
 
Molecular Function GO:0047646
GO-Score 0.42
Biological Processes GO:0055114 GO:0008218
GO-Score 0.91 0.42
Cellular Component
GO-Score

(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.