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I-TASSER results for job id Rv0347

[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 4 3ho6A IHP Rep, Mult 71,73,100,103,138,268
20.08 4 1xvgC BRJ Rep, Mult 309,312,316
30.06 3 3rbhD C8E Rep, Mult 78,184
40.06 3 3khhB AF Rep, Mult 130,181
50.04 2 3fegA MG Rep, Mult 188,274
60.04 2 2ia5C MG Rep, Mult 274,276
70.04 2 2wabA BGC Rep, Mult 82,187,246
80.02 1 4pe3A ZN Rep, Mult 157,158
90.02 1 2zoxA PNG Rep, Mult 99,100,104,105,185
100.02 1 3twaA MG Rep, Mult 274,310,328
110.02 1 2zxeB CLR Rep, Mult 305,309
120.02 1 4zdrA TME Rep, Mult 267,309

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
10.0602jkpB0.4326.460.0460.7323.2.1.20107
20.0601c7sA0.4345.980.0440.6833.2.1.52NA
30.0601gnxA0.4175.780.0470.6283.2.1.21NA
40.0603l4uA0.4385.940.0860.6803.2.1.20,3.2.1.3NA
50.0602c8nA0.4225.840.0300.6463.2.1.55NA
60.0601od0B0.4225.690.0340.6343.2.1.21NA
70.0602jf6B0.4286.090.0380.6683.2.1.105137
80.0603f4vA0.4265.910.0500.6493.2.1.21NA
90.0601reqA0.4236.120.0440.6685.4.99.2NA
100.0601edqA0.4246.210.0580.6743.2.1.14108
110.0603gnrA0.4246.100.0330.6623.2.1.21NA
120.0602vdcF0.4206.030.0590.6741.4.1.13NA
130.0601uwkA0.4466.080.0620.7104.2.1.49NA
140.0601gonA0.4215.840.0520.6373.2.1.21NA
150.0602wghB0.4255.570.0750.6371.17.4.1NA
160.0601o0sA0.4286.100.0540.6771.1.1.38NA
170.0605r1rA0.4285.740.0680.6521.17.4.1NA
180.0601ea0A0.3826.220.0610.6071.4.1.13NA
190.0601dwaM0.4226.130.0390.6653.2.1.147186

(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
00.070.5803.310.060.683ho6A GO:0006508 GO:0008233 GO:0008234 GO:0009405 GO:0016757 GO:0016787
10.070.5603.450.080.663pa8A GO:0009405 GO:0016740 GO:0016757
20.060.4473.700.070.553fzyA GO:0000166 GO:0000287 GO:0000822 GO:0003824 GO:0004197 GO:0005509 GO:0005524 GO:0005576 GO:0006508 GO:0008152 GO:0008233 GO:0008234 GO:0008289 GO:0009405 GO:0016020 GO:0016540 GO:0016787 GO:0016874 GO:0016881 GO:0018153 GO:0018262 GO:0019836 GO:0020002 GO:0030042 GO:0030430 GO:0031640 GO:0033644 GO:0044164 GO:0046872 GO:0090527
30.060.3376.620.020.572au3A GO:0000287 GO:0003677 GO:0003896 GO:0003899 GO:0006260 GO:0006269 GO:0008270 GO:0016740 GO:0016779 GO:0046872 GO:1990077
40.060.3446.260.060.571qhoA GO:0003824 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0030246 GO:0043169 GO:0043897 GO:0046872 GO:2001070
50.060.3385.600.040.502hk0A GO:0016853 GO:0016857 GO:0030145 GO:0046872 GO:0050897
60.060.2845.720.040.442xtzB GO:0000166 GO:0001789 GO:0003924 GO:0004871 GO:0005095 GO:0005525 GO:0005789 GO:0005834 GO:0005886 GO:0006571 GO:0007165 GO:0007186 GO:0008219 GO:0009094 GO:0009506 GO:0009738 GO:0009740 GO:0009749 GO:0009785 GO:0009788 GO:0009789 GO:0009845 GO:0010027 GO:0010119 GO:0010244 GO:0016020 GO:0016247 GO:0019001 GO:0031683 GO:0034260 GO:0042127 GO:0046872 GO:0071215 GO:0072593
70.060.3045.460.060.444xk1A GO:0003824 GO:0004648 GO:0005737 GO:0006564 GO:0008483 GO:0008615 GO:0008652 GO:0016740 GO:0030170
80.060.2986.230.000.492vk9A GO:0009405 GO:0016757
90.060.2746.680.030.462bvlA GO:0006508 GO:0008233 GO:0008234 GO:0009405 GO:0016757 GO:0016787 GO:0020002 GO:0046527
100.060.3685.310.050.522x5fA GO:0003824 GO:0009058 GO:0030170
110.060.3097.130.050.573gdeA GO:0000166 GO:0003677 GO:0003909 GO:0003910 GO:0005524 GO:0006260 GO:0006281 GO:0006310 GO:0006974 GO:0007049 GO:0016874 GO:0046872 GO:0051103 GO:0051301 GO:0071897
120.060.2836.410.030.472vkdA GO:0000166 GO:0009405 GO:0016757 GO:0046872
130.060.2886.710.020.494dmvA GO:0006508 GO:0008233 GO:0008234 GO:0009405 GO:0016757 GO:0016787
140.060.2365.800.030.361f5xA GO:0005085 GO:0005089 GO:0005829 GO:0005911 GO:0006909 GO:0006955 GO:0007186 GO:0007229 GO:0007264 GO:0008361 GO:0030168 GO:0030217 GO:0030593 GO:0030676 GO:0035023 GO:0035556 GO:0042110 GO:0043087 GO:0043547 GO:0045785 GO:0045954 GO:0046872 GO:0048010 GO:0072593
150.060.2386.960.060.424mboA GO:0005576 GO:0005618 GO:0007155 GO:0009986 GO:0030260 GO:1990254
160.060.2387.250.060.455bugA GO:0000079 GO:0000287 GO:0001525 GO:0001933 GO:0002902 GO:0004438 GO:0004721 GO:0004722 GO:0004725 GO:0005161 GO:0005576 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005829 GO:0005886 GO:0006470 GO:0006629 GO:0006661 GO:0006915 GO:0007270 GO:0007399 GO:0007416 GO:0007417 GO:0007507 GO:0007568 GO:0007584 GO:0007611 GO:0007613 GO:0007626 GO:0008138 GO:0008283 GO:0008284 GO:0008285 GO:0008289 GO:0009749 GO:0009898 GO:0010033 GO:0010035 GO:0010043 GO:0010975 GO:0010997 GO:0014067 GO:0014070 GO:0016311 GO:0016314 GO:0016324 GO:0016477 GO:0016605 GO:0016787 GO:0016791 GO:0019899 GO:0019901 GO:0021542 GO:0021955 GO:0030165 GO:0030336 GO:0030534 GO:0031175 GO:0031642 GO:0031647 GO:0031658 GO:0032228 GO:0032286 GO:0032355 GO:0032535 GO:0033032 GO:0033198 GO:0033555 GO:0035176 GO:0035335 GO:0035749 GO:0036294 GO:0042493 GO:0042711 GO:0042802 GO:0042995 GO:0043005 GO:0043065 GO:0043066 GO:0043197 GO:0043220 GO:0043491 GO:0043542 GO:0043647 GO:0045211 GO:0045471 GO:0045475 GO:0045792 GO:0046621 GO:0046685 GO:0046855 GO:0046856 GO:0048008 GO:0048015 GO:0048679 GO:0048738 GO:0048853 GO:0048854 GO:0050680 GO:0050765 GO:0050771 GO:0050821 GO:0050852 GO:0051091 GO:0051717 GO:0051726 GO:0051800 GO:0051895 GO:0051898 GO:0060024 GO:0060070 GO:0060074 GO:0060134 GO:0060179 GO:0060291 GO:0060292 GO:0060341 GO:0060736 GO:0060997 GO:0061002 GO:0070373 GO:0070374 GO:0071456 GO:0090071 GO:0090344 GO:0090394 GO:0097105 GO:0097107 GO:1903984 GO:1904668 GO:2000060 GO:2000134 GO:2000463 GO:2000808 GO:2001235
170.060.2765.460.040.412wteA GO:0003677 GO:0051607
180.060.2605.870.040.404mixB GO:0003824 GO:0005509 GO:0005576 GO:0008152 GO:0009405 GO:0016020 GO:0016262 GO:0016740 GO:0016757 GO:0016787 GO:0020002 GO:0033644 GO:0036210 GO:0043087 GO:0046872 GO:0050568


Consensus prediction of GO terms
 
Molecular Function GO:0043169
GO-Score 0.36
Biological Processes GO:0051704
GO-Score 0.37
Cellular Component GO:0005576 GO:0020002 GO:0016020 GO:0044164 GO:1990077
GO-Score 0.07 0.07 0.07 0.07 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.