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I-TASSER results for job id Rv0915c

[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 3 3iilA MG Rep, Mult 8,9
20.06 3 3bvxA MPD Rep, Mult 147,148,151
30.04 2 3c9iC XE Rep, Mult 110,113
40.04 2 4zzbA XE Rep, Mult 110,140,143,144
50.03 1 2g381 III Rep, Mult 3,14,15,17,18,19,20,23,24,27,30,31,33,34,37,38,40,41,44,45,48,52,57,65,72,75,83,86,90,97,154,155,158,162,164,165,167,168,170,171,173
60.02 1 3pyoN MG Rep, Mult 108,112
70.02 1 2jstA HLT Rep, Mult 31,69
80.02 1 3sjqC PHU Rep, Mult 100,103
90.02 1 2a6hD STD Rep, Mult 87,90,91,95
100.02 1 3rk2B CA Rep, Mult 95,98
110.02 1 3k7tA GP7 Rep, Mult 19,20
120.02 1 1cxpA UUU Rep, Mult 75,76
130.02 1 1vd5A GLY Rep, Mult 117,133
140.02 1 2g38B MN Rep, Mult 149,152,153
150.02 1 1zyrN STD Rep, Mult 84,87,88,92
160.02 1 2q67A CA Rep, Mult 104,105
170.02 1 1lghA DET Rep, Mult 35,42
180.02 1 1y66B DIO Rep, Mult 129,132,133
190.02 1 2p9i3 III Rep, Mult 139,141,142,144,147,148,150,152
200.02 1 2ppbN STD Rep, Mult 64,67,68,69,72

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
10.0603ebgA0.3707.040.0430.6193.4.11.-NA
20.0602r72A0.3836.890.0420.6342.7.7.4843
30.0601n1hA0.3497.080.0390.5892.7.7.4812
40.0603iayA0.3547.320.0690.5862.7.7.7NA
50.0601ea0A0.3037.590.0490.5341.4.1.13NA
60.0601ynnD0.3566.580.0460.5512.7.7.638
70.0603ffzA0.3806.620.0390.6013.4.24.69NA
80.0601mhsA0.3576.000.0400.5253.6.3.6221
90.0601ug9A0.3426.690.0750.5463.2.1.70NA
100.0602qnoA0.3397.150.0550.5673.2.1.4NA
110.0602zr3B0.3426.180.0530.5156.1.1.1186
120.0603btaA0.3737.000.0110.6083.4.24.6985
130.0603iydD0.3676.720.0530.5752.7.7.6NA
140.0602j5wA0.3926.500.0590.6171.16.3.1NA
150.0602jfdA0.2747.190.0750.4562.3.1.85NA
160.0603b8eC0.2977.630.0340.5273.6.3.942
170.0603b8eA0.3107.640.0350.5583.6.3.9NA
180.0602np0A0.3686.650.0570.5793.4.24.6985
190.0602eabA0.3936.940.0390.6383.2.1.63NA

(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
00.230.3961.390.340.414kxrB GO:0005576 GO:0009405 GO:0009986
10.060.4007.050.040.654kf7A GO:0005643 GO:0006406 GO:0006606 GO:0006999 GO:0017056 GO:0031990 GO:0044611
20.060.3817.030.070.643d9bA GO:0005215 GO:0005886 GO:0005887 GO:0006810 GO:0006855 GO:0015238 GO:0015307 GO:0016020 GO:0016021 GO:0042493 GO:0042802 GO:0046618
30.060.3907.170.060.664k0eA GO:0005215 GO:0006810 GO:0006812 GO:0008324 GO:0016020 GO:0016021 GO:0098655
40.060.4066.580.060.654k0eC GO:0005215 GO:0006810 GO:0006812 GO:0008324 GO:0016020 GO:0016021 GO:0098655
50.060.3797.160.060.642v50D GO:0005215 GO:0005886 GO:0006810 GO:0006855 GO:0015238 GO:0016020 GO:0016021 GO:0046677
60.060.3896.990.050.643w9iF GO:0005215 GO:0005886 GO:0006810 GO:0006855 GO:0015238 GO:0016020 GO:0016021 GO:0046677
70.060.3317.670.040.583nogA GO:0005215 GO:0005886 GO:0005887 GO:0006810 GO:0006855 GO:0015238 GO:0015307 GO:0016020 GO:0016021 GO:0042493 GO:0042802 GO:0046618
80.060.3837.190.050.654dnrA GO:0005215 GO:0005375 GO:0005507 GO:0005886 GO:0006810 GO:0006811 GO:0006812 GO:0006825 GO:0006878 GO:0008324 GO:0010272 GO:0010273 GO:0015080 GO:0015673 GO:0015679 GO:0016020 GO:0016021 GO:0046688 GO:0060003 GO:1902601
90.060.3837.110.060.644k0eB GO:0005215 GO:0006810 GO:0006812 GO:0008324 GO:0016020 GO:0016021 GO:0098655
100.060.3807.190.060.644mt1A GO:0005215 GO:0006810 GO:0016020 GO:0016021
110.060.2567.240.090.443c7aA GO:0000166 GO:0016491 GO:0047830 GO:0050662 GO:0055114
120.060.2306.590.030.365en5C GO:0005215 GO:0005886 GO:0005887 GO:0006810 GO:0006855 GO:0015238 GO:0015307 GO:0016020 GO:0016021 GO:0042493 GO:0042802 GO:0046618
130.060.2736.450.040.434qdhA GO:0001932 GO:0002224 GO:0002237 GO:0002376 GO:0002730 GO:0002755 GO:0004888 GO:0005149 GO:0005737 GO:0005764 GO:0005768 GO:0005783 GO:0005789 GO:0005886 GO:0006954 GO:0006955 GO:0007165 GO:0007252 GO:0007409 GO:0009615 GO:0010628 GO:0016020 GO:0016021 GO:0016323 GO:0016324 GO:0030277 GO:0031410 GO:0032009 GO:0032088 GO:0032640 GO:0032715 GO:0032717 GO:0032722 GO:0032725 GO:0032728 GO:0032733 GO:0032735 GO:0032741 GO:0032755 GO:0032757 GO:0032760 GO:0034122 GO:0034123 GO:0034162 GO:0035197 GO:0042346 GO:0043123 GO:0043507 GO:0045078 GO:0045087 GO:0045335 GO:0045356 GO:0045359 GO:0045944 GO:0050707 GO:0050727 GO:0050729 GO:0050829 GO:0050864 GO:0051092 GO:0051607 GO:0051770 GO:1901895 GO:1902350
140.060.2397.160.080.401k9xA GO:0004180 GO:0004181 GO:0006508 GO:0008233 GO:0008237 GO:0016787 GO:0046872 GO:0050897
150.060.3406.410.050.524moaA GO:0005102 GO:0006952 GO:0009405 GO:0030435
160.060.2947.270.060.504dozA GO:0000166 GO:0003723 GO:0005737 GO:0046872 GO:0051607
170.060.2326.630.050.364q0mA GO:0004067 GO:0006520
180.060.2077.160.020.354iixA GO:0016787 GO:0030153


Consensus prediction of GO terms
 
Molecular Function GO:0042802 GO:0017056 GO:0015307
GO-Score 0.07 0.07 0.07
Biological Processes GO:0051704 GO:0051234
GO-Score 0.46 0.36
Cellular Component GO:0044464
GO-Score 0.38

(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.