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I-TASSER results for job id Rv1172c

[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 1vlgA FE Rep, Mult 25,67,70,212
20.04 2 3ffzA NA Rep, Mult 44,45,47,48,52,53
30.04 2 3c9iA CA Rep, Mult 60,63
40.04 2 1yv1A FE2 Rep, Mult 18,74,77,208
50.04 2 3rbmD B73 Rep, Mult 51,55
60.04 2 3m4bA ZN Rep, Mult 12,45
70.04 2 2vzbA FE Rep, Mult 22,71,74,207,211
80.02 1 1rkvB MG Rep, Mult 45,74
90.02 1 1w8qC CO Rep, Mult 54,58
100.02 1 2w6dB CPL Rep, Mult 26,27,71,72,75
110.02 1 1i4d1 III Rep, Mult 12,15,16,19,20,22,23,24,26,27,75,78,82,85,86
120.02 1 4dr0B MN Rep, Mult 29,64,67,220
130.02 1 2dyrK PGV Rep, Mult 73,74
140.02 1 3r6nB D1D Rep, Mult 25,26,29,68,71
150.02 1 3f1eT MG Rep, Mult 2,15
160.02 1 1gsaA MG Rep, Mult 45,46
170.02 1 2w6dA GDP Rep, Mult 101,102,104,107,117

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
10.0603a1cB0.2096.550.0580.3643.6.3.-72,131
20.0603btaA0.4105.960.0540.6493.4.24.69NA
30.0601z0hB0.2306.300.0100.3703.4.24.69NA
40.0601bg7A0.3364.090.0860.4321.16.3.1NA
50.0603bvlF0.3864.170.0410.4971.16.3.1NA
60.0602np0A0.3615.850.0220.5553.4.24.69NA
70.0603b8eC0.4086.460.0580.6753.6.3.933,53,164,166
80.0601mo7A0.2024.990.0660.2923.6.3.9NA
90.0601gpjA0.3585.950.0710.5581.2.1.70NA
100.0603g61A0.4315.980.0730.6983.6.3.44NA
110.0601mfrW0.3814.100.0530.4901.16.3.1NA
120.0601o9iA0.3654.070.0410.4641.11.1.678
130.0601yisA0.3654.980.0370.5004.3.2.2NA
140.0602e9fB0.3625.320.0710.5034.3.2.158
150.0601y2mB0.4094.930.0950.5784.3.1.24NA
160.0603ixzA0.4086.350.0460.6723.6.3.10NA
170.0603e6sF0.3683.400.0960.4481.16.3.124,65,183
180.0603ffzA0.4375.500.0460.6563.4.24.6982
190.0603b8eA0.4096.430.0650.6823.6.3.945

(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
00.190.6602.990.100.774xxxA GO:0005576 GO:0009405 GO:0044315
10.120.7442.840.100.853j83A GO:0005576 GO:0009405 GO:0044315
20.060.4584.110.050.584dylA GO:0000166 GO:0001578 GO:0004672 GO:0004713 GO:0004715 GO:0005524 GO:0005737 GO:0005794 GO:0005829 GO:0005856 GO:0005886 GO:0005925 GO:0006468 GO:0006935 GO:0007173 GO:0007275 GO:0008017 GO:0008283 GO:0008289 GO:0008360 GO:0010976 GO:0015630 GO:0016020 GO:0016023 GO:0016301 GO:0016310 GO:0016740 GO:0018108 GO:0030054 GO:0030155 GO:0031116 GO:0031234 GO:0031410 GO:0034987 GO:0035091 GO:0038083 GO:0042127 GO:0043304 GO:0045087 GO:0045595 GO:0045639 GO:0046777 GO:0051297 GO:0060627 GO:2000145 GO:2000251
30.060.4336.030.080.704m1mA GO:0000086 GO:0000166 GO:0002481 GO:0002485 GO:0002489 GO:0002591 GO:0005524 GO:0005886 GO:0006810 GO:0006855 GO:0008559 GO:0009986 GO:0015893 GO:0016020 GO:0016021 GO:0016787 GO:0016887 GO:0042623 GO:0042626 GO:0042908 GO:0046581 GO:0055085 GO:0070062 GO:0072089
40.060.3575.960.040.564pl0B GO:0000166 GO:0005524 GO:0005886 GO:0006810 GO:0015031 GO:0016020 GO:0016021 GO:0016887 GO:0030153 GO:0042626 GO:0043213 GO:0055085
50.060.3355.950.010.532r6fA GO:0000166 GO:0003677 GO:0003824 GO:0004518 GO:0005524 GO:0005737 GO:0006281 GO:0006289 GO:0006974 GO:0008270 GO:0009380 GO:0009381 GO:0009432 GO:0016887 GO:0046872 GO:0090305
60.060.4574.410.040.614f4cA GO:0000166 GO:0005524 GO:0006810 GO:0006855 GO:0008559 GO:0010038 GO:0015562 GO:0016020 GO:0016021 GO:0016324 GO:0016787 GO:0016887 GO:0042626 GO:0042908 GO:0045087 GO:0050829 GO:0055085 GO:0093002
70.060.3416.110.020.552r6fB GO:0000166 GO:0003677 GO:0003824 GO:0004518 GO:0005524 GO:0005737 GO:0006281 GO:0006289 GO:0006974 GO:0008270 GO:0009380 GO:0009381 GO:0009432 GO:0016887 GO:0046872 GO:0090305
80.060.3746.020.040.603pihA GO:0000166 GO:0003677 GO:0003824 GO:0004518 GO:0005524 GO:0005737 GO:0006281 GO:0006289 GO:0006974 GO:0008270 GO:0009380 GO:0009381 GO:0009432 GO:0016887 GO:0046872 GO:0090305
90.060.3605.150.040.534ux3A GO:0000166 GO:0003682 GO:0005524 GO:0005634 GO:0005694 GO:0006281 GO:0007049 GO:0007064 GO:0007067 GO:0007130 GO:0007131 GO:0008280 GO:0016887 GO:0030437 GO:0034990 GO:0042802 GO:0051177 GO:0051276 GO:0051301 GO:1990414
100.060.3636.010.030.585c73A GO:0000166 GO:0005524 GO:0006810 GO:0016021 GO:0016887 GO:0042626 GO:0055085
110.060.3266.750.020.565do7D GO:0005524 GO:0005886 GO:0006810 GO:0007584 GO:0007588 GO:0010949 GO:0015248 GO:0015914 GO:0015918 GO:0016020 GO:0016021 GO:0016324 GO:0016887 GO:0017127 GO:0030299 GO:0033344 GO:0042493 GO:0042626 GO:0042632 GO:0043190 GO:0043235 GO:0045796 GO:0046982 GO:0055085 GO:0055092
120.060.3575.800.070.553b5wA GO:0000166 GO:0005319 GO:0005524 GO:0005886 GO:0006810 GO:0006869 GO:0008144 GO:0008289 GO:0015437 GO:0016020 GO:0016021 GO:0016787 GO:0016887 GO:0034040 GO:0042626 GO:0043190 GO:0055085 GO:1901264
130.060.3795.890.070.584mrrA GO:0000166 GO:0005524 GO:0005886 GO:0006810 GO:0006811 GO:0016020 GO:0016021 GO:0016887 GO:0042626 GO:0046689 GO:0055085
140.060.3335.650.040.514mycA GO:0000166 GO:0005524 GO:0005739 GO:0005743 GO:0006810 GO:0006811 GO:0006879 GO:0016020 GO:0016021 GO:0016887 GO:0022857 GO:0042626 GO:0044281 GO:0055072 GO:0055085
150.060.3436.080.030.553uwxA GO:0000166 GO:0003677 GO:0003824 GO:0004518 GO:0005524 GO:0005737 GO:0006281 GO:0006289 GO:0006974 GO:0008270 GO:0009380 GO:0009381 GO:0009432 GO:0016887 GO:0046872 GO:0090305
160.060.3275.890.060.523wmgA GO:0000166 GO:0005524 GO:0006810 GO:0016020 GO:0016021 GO:0016887 GO:0042626 GO:0055085
170.060.3545.610.040.543qf4B GO:0000166 GO:0005524 GO:0005886 GO:0006810 GO:0016020 GO:0016021 GO:0016887 GO:0042626 GO:0055085
180.060.3405.580.060.504ayxA GO:0000166 GO:0005215 GO:0005524 GO:0005739 GO:0005743 GO:0006810 GO:0016020 GO:0016021 GO:0016887 GO:0032592 GO:0042626 GO:0042803 GO:0055085


Consensus prediction of GO terms
 
Molecular Function GO:0032550 GO:0035639 GO:0032559
GO-Score 0.36 0.36 0.36
Biological Processes GO:0051704 GO:0009306 GO:0071806
GO-Score 0.58 0.58 0.58
Cellular Component GO:0071944
GO-Score 0.36

(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.