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I-TASSER results for job id Rv2229c

[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
10.08 3 5kj7A CA Rep, Mult 123,126
20.06 2 1i4d1 III Rep, Mult 59,62,65,66,69,70,72,73,74,76,77,114,117,121,124,125
30.06 2 2w6dB CPL Rep, Mult 87,88,99,100,102
40.06 2 3b60C ANP Rep, Mult 85,99,100,101,102
50.04 1 3na7A ZN Rep, Mult 204,207,230,233
60.03 1 3rk2B CA Rep, Mult 43,46
70.03 1 1efrG III Rep, Mult 48,55,138
80.03 1 1vsgA UUU Rep, Mult 71,74,75,78,81,106
90.03 1 2y04B 2CV Rep, Mult 75,76,106,110,113
100.03 1 3mq7E CA Rep, Mult 13,16
110.03 1 3hd7A GGG Rep, Mult 49,50
120.03 1 4wpcA I6P Rep, Mult 41,45
130.03 1 2e50A TRE Rep, Mult 134,137,141

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
10.0602dq3A0.3533.380.0490.4246.1.1.1179
20.0603ffzA0.3585.030.0360.5023.4.24.69NA
30.0602vz8A0.3446.240.0470.6162.3.1.85NA
40.0602e9fB0.3655.260.0650.5474.3.2.1NA
50.0601bgwA0.3645.560.0260.5715.99.1.3NA
60.0601mhyD0.3694.780.0780.5221.14.13.25NA
70.0601yfmA0.3495.220.0570.5264.2.1.2NA
80.0603hz3A0.4016.070.0520.7142.4.1.5148
90.0603gtgB0.3535.930.0180.5882.7.7.6NA
100.0601wleB0.3513.810.0500.4456.1.1.1171,109
110.0603b8eC0.3606.320.0280.6493.6.3.9NA
120.0602vumB0.3386.220.0520.5922.7.7.651,56
130.0602jfdA0.2566.300.0570.4652.3.1.85NA
140.0601dcnB0.3435.550.0610.5434.3.2.1NA
150.0603errA0.3754.380.0460.5226.1.1.1171
160.0601zvuA0.3734.630.0520.5265.99.1.-NA
170.0602vz8B0.3606.300.0380.6452.3.1.85NA
180.0601y2mB0.3975.380.0500.6164.3.1.24NA
190.0601u7lA0.4723.930.0740.6003.6.3.14124

(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
00.060.4163.390.040.504e68A GO:0000790 GO:0000978 GO:0000981 GO:0001077 GO:0001103 GO:0001228 GO:0001659 GO:0001754 GO:0003677 GO:0003700 GO:0004871 GO:0004879 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005743 GO:0005829 GO:0005886 GO:0006351 GO:0006355 GO:0006366 GO:0006606 GO:0006953 GO:0007165 GO:0007259 GO:0007568 GO:0008134 GO:0008283 GO:0008285 GO:0010033 GO:0010628 GO:0010730 GO:0014070 GO:0016310 GO:0019221 GO:0019827 GO:0019901 GO:0019903 GO:0019953 GO:0030522 GO:0031490 GO:0031730 GO:0032355 GO:0032870 GO:0033210 GO:0034097 GO:0035259 GO:0035278 GO:0040014 GO:0042493 GO:0042517 GO:0042593 GO:0042755 GO:0042802 GO:0043066 GO:0043434 GO:0043565 GO:0044212 GO:0044320 GO:0044321 GO:0045471 GO:0045747 GO:0045820 GO:0045893 GO:0045944 GO:0046902 GO:0046983 GO:0048708 GO:0051726 GO:0060019 GO:0060259 GO:0060396 GO:0060397 GO:0060548 GO:0070102 GO:0071345 GO:0071407 GO:0090575 GO:0097009 GO:1901215 GO:1902728 GO:1902895 GO:1904685 GO:2000637 GO:2000737 GO:2001171 GO:2001223
10.060.3393.680.040.413cfoA GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0004518 GO:0004527 GO:0006260 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0039693 GO:0071897 GO:0090305
20.060.2745.850.040.451m1cA GO:0019012 GO:0019028
30.060.3181.730.080.341qsdA GO:0005737 GO:0005856 GO:0005874 GO:0007021 GO:0007023 GO:0015631 GO:0048487
40.060.2771.480.060.294c46C GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
50.060.2376.080.050.424f8xA GO:0000272 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0031176 GO:0045493
60.060.2353.420.040.294ojjC GO:0000290 GO:0000776 GO:0000932 GO:0001731 GO:0003682 GO:0003723 GO:0003729 GO:0005634 GO:0005737 GO:0006397 GO:0006417 GO:0006446 GO:0007049 GO:0007059 GO:0010494 GO:0022627 GO:0033962 GO:0045947 GO:0051301 GO:0061641 GO:1990726
70.060.2574.960.040.374w9uB GO:0003995 GO:0004361 GO:0008152 GO:0016491 GO:0016627 GO:0050660 GO:0055114
80.060.2654.660.050.384xydB GO:0009055 GO:0016020 GO:0016021 GO:0016491 GO:0016966 GO:0020037 GO:0055114
90.060.2226.230.010.402ajrA GO:0000166 GO:0005524 GO:0005975 GO:0008662 GO:0009024 GO:0016301 GO:0016310 GO:0016740 GO:0016773 GO:0046835 GO:0046872
100.060.2105.440.010.334j7cB GO:0005886 GO:0006810 GO:0006811 GO:0006813 GO:0008324 GO:0016020 GO:0098655
110.060.1996.500.060.372qv7A GO:0000166 GO:0003951 GO:0004143 GO:0005524 GO:0006629 GO:0008152 GO:0008654 GO:0016301 GO:0016310 GO:0016740 GO:0046872
120.060.2335.550.050.383lm8A GO:0000166 GO:0004788 GO:0005524 GO:0006772 GO:0009229 GO:0016301 GO:0016310 GO:0016740 GO:0030975
130.060.2394.210.010.301e1cA GO:0003824 GO:0004494 GO:0008152 GO:0016853 GO:0016866 GO:0031419 GO:0046872
140.060.2675.380.050.435d0uA GO:0000166 GO:0003676 GO:0004386 GO:0005524 GO:0008026 GO:0016787
150.060.2126.440.020.393wsyA GO:0000042 GO:0001540 GO:0004888 GO:0005576 GO:0005615 GO:0005641 GO:0005768 GO:0005769 GO:0005783 GO:0005794 GO:0005802 GO:0005887 GO:0006605 GO:0006622 GO:0006629 GO:0006810 GO:0006869 GO:0006892 GO:0006897 GO:0006898 GO:0007165 GO:0008202 GO:0008203 GO:0014910 GO:0016020 GO:0016021 GO:0030169 GO:0030306 GO:0031985 GO:0032091 GO:0032460 GO:0034362 GO:0043407 GO:0045053 GO:0045732 GO:0050768 GO:0051604 GO:0055037 GO:0070062 GO:0070863 GO:1901215 GO:1902430 GO:1902771 GO:1902948 GO:1902953 GO:1902955 GO:1902960 GO:1902963 GO:1902966 GO:1902997 GO:2001137
160.060.2636.470.040.482y51A GO:0000166 GO:0008152 GO:0016491 GO:0016620 GO:0055114
170.060.1764.520.040.232ggmA GO:0000086 GO:0000715 GO:0000717 GO:0005509 GO:0005622 GO:0005634 GO:0005654 GO:0005737 GO:0005813 GO:0005814 GO:0005829 GO:0005856 GO:0005929 GO:0006281 GO:0006289 GO:0006294 GO:0006974 GO:0007049 GO:0007067 GO:0007099 GO:0007283 GO:0008017 GO:0016925 GO:0031683 GO:0032391 GO:0032465 GO:0032795 GO:0036064 GO:0046872 GO:0051301 GO:0070911 GO:0071942
180.060.2046.630.020.393vz2B GO:0000166 GO:0008152 GO:0016491 GO:0016620 GO:0055114


Consensus prediction of GO terms
 
Molecular Function GO:0003676
GO-Score 0.36
Biological Processes GO:0045471 GO:0048708 GO:0071897 GO:0039693 GO:2001171 GO:0001754 GO:0042755 GO:0006606 GO:0007568 GO:0030522 GO:0008285 GO:0070102 GO:1902728 GO:1901215 GO:0032355 GO:0010730 GO:2000637 GO:0051726 GO:0060259 GO:0040014 GO:0090305 GO:0042517 GO:0006953 GO:0019827 GO:0046902 GO:0042493 GO:0033210 GO:0060397 GO:0001659 GO:1904685 GO:0060019 GO:0097009 GO:0071407 GO:0019953 GO:0042593 GO:2000737 GO:0035278 GO:0045747 GO:0045820 GO:2001223 GO:0043066 GO:1902895 GO:1903833 GO:0007023 GO:0008652 GO:0001080 GO:0007021 GO:0010691 GO:0045899
GO-Score 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06
Cellular Component GO:0000790 GO:0090575 GO:0005829 GO:0005654 GO:0005886 GO:0005743 GO:0005874 GO:0019028
GO-Score 0.12 0.06 0.06 0.06 0.06 0.06 0.06 0.06

(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.