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I-TASSER results for job id Rv3426

[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 5ebzD 5LS Rep, Mult 70,74,182
20.06 2 1mz9B VDY Rep, Mult 30,33,37
30.06 2 1nf4A FE2 Rep, Mult 37,74,77,174
40.03 1 2vs0B ZN Rep, Mult 35,82
50.03 1 1hjbA NUC Rep, Mult 69,70,73,74,76,77,80
60.03 1 1i4d1 III Rep, Mult 35,38,41,42,45,46,48,49,50,52,53,68,71,75,78,79
70.03 1 2j9tA BO3 Rep, Mult 97,98,101,148,149,152
80.03 1 1wdz0 III Rep, Mult 17,22,26,29,30,33,36,37,39,40,43,46,47,50,51,56,57,60,63,66,67,70,74,88,166,167,168,185
90.03 1 2gdcA III Rep, Mult 14,19,22,23,26,27,30,33,77,170
100.03 1 1zww0 III Rep, Mult 19,22,23,25,26,29,33,36,39,46,47,50,53,63,170,171,174,175,178,179,181,182,185,186,188,189,193,196,197
110.03 1 4j4qA BOG Rep, Mult 112,138,141
120.03 1 3o02B JN3 Rep, Mult 90,94,148,151,152,155
130.03 1 2g38B MN Rep, Mult 139,142,143
140.03 1 2g381 III Rep, Mult 2,13,14,16,17,18,19,22,23,26,29,30,32,33,36,37,39,40,43,44,47,51,55,63,70,73,81,84,88,95,152,153,156,158,161,166

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
10.0601serB0.3634.640.0680.5226.1.1.11101,139
20.0602e9fB0.4364.420.0690.6084.3.2.1NA
30.0601z0hB0.2265.810.0830.3713.4.24.69NA
40.0603e04D0.4474.430.0650.6124.2.1.287,94
50.0603ixzA0.4275.430.0330.6853.6.3.10NA
60.0603gtdA0.4464.450.0620.6164.2.1.2127
70.0601k62B0.4374.130.0610.5914.3.2.1127
80.0601y2mB0.4685.450.0670.7504.3.1.24NA
90.0601tj7A0.4364.040.0550.5824.3.2.1121,127
100.0602o6yA0.4385.080.0830.6514.3.1.-NA
110.0601yfmA0.4504.400.0510.6164.2.1.2NA
120.0601i0aA0.4474.080.0450.5954.3.2.1NA
130.0603b8eA0.3845.780.0370.6643.6.3.9NA
140.0601dcnB0.4354.030.0500.5864.3.2.1NA
150.0602pfmA0.4424.200.0450.5914.3.2.2127
160.0601mo7A0.1905.840.0360.3233.6.3.9NA
170.0601yfeA0.4444.500.0670.6294.2.1.2121,127
180.0601jswB0.4274.680.0600.6124.3.1.1121,127
190.0603b8eC0.4255.850.0310.7333.6.3.9NA

(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
00.290.7021.560.250.754kxrB GO:0005576 GO:0009405 GO:0009986
10.170.5984.270.080.843g9gA GO:0000144 GO:0000147 GO:0001400 GO:0004857 GO:0005934 GO:0005935 GO:0006897 GO:0007049 GO:0032185 GO:0042802 GO:0043086 GO:0061645
20.170.6284.340.050.884nqiD GO:0000281 GO:0000331 GO:0001891 GO:0005885 GO:0005905 GO:0006909 GO:0007009 GO:0009992 GO:0010324 GO:0031150 GO:0035091 GO:0042803 GO:0045335 GO:0046847 GO:0071476 GO:0072583
30.160.5325.470.050.883syvC GO:0005654 GO:0005737 GO:0005768 GO:0005802 GO:0005886 GO:0006897 GO:0008092 GO:0008289 GO:0016020 GO:0019855 GO:0045806 GO:0051044 GO:0051926 GO:0070062 GO:0097320
40.160.6144.850.050.924dylA 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
50.160.4905.530.070.834wpeA GO:0000142 GO:0000144 GO:0000281 GO:0000917 GO:0005737 GO:0005856 GO:0005935 GO:0007049 GO:0007067 GO:0008092 GO:0044697 GO:0051301 GO:0090339
60.160.5195.440.080.853i2wB GO:0000281 GO:0005543 GO:0005768 GO:0005829 GO:0005886 GO:0007053 GO:0007112 GO:0007269 GO:0008289 GO:0030100 GO:0030496 GO:0032154 GO:0036090 GO:0045211 GO:0045887 GO:0048488 GO:0061024 GO:0071212
70.150.5275.490.050.873m3wB GO:0005654 GO:0005737 GO:0005768 GO:0005802 GO:0005886 GO:0006897 GO:0008092 GO:0008289 GO:0016020 GO:0019855 GO:0045806 GO:0051044 GO:0051926 GO:0070062 GO:0097320
80.140.5884.890.070.892efkA GO:0001891 GO:0005086 GO:0005096 GO:0005654 GO:0005737 GO:0005764 GO:0005794 GO:0005802 GO:0005829 GO:0005856 GO:0005886 GO:0005938 GO:0006897 GO:0007154 GO:0007165 GO:0008289 GO:0016020 GO:0016192 GO:0030036 GO:0042802 GO:0042995 GO:0043231 GO:0043547 GO:0048471 GO:0051056 GO:0070062
90.130.5595.210.060.904bneA GO:0005737 GO:0005768 GO:0005769 GO:0005802 GO:0005829 GO:0005856 GO:0005886 GO:0005901 GO:0005925 GO:0006897 GO:0008092 GO:0008289 GO:0016020 GO:0030036 GO:0030054 GO:0030100 GO:0030659 GO:0031410 GO:0032587 GO:0042995 GO:0045806 GO:0055038 GO:0070300 GO:0070836 GO:0097320
100.130.5075.740.080.882v0oA GO:0001786 GO:0005546 GO:0005886 GO:0005905 GO:0006897 GO:0010324 GO:0016020 GO:0030136 GO:0035091 GO:0048268 GO:0072583 GO:0072659
110.120.6234.580.060.922eflA GO:0005086 GO:0005737 GO:0005764 GO:0005802 GO:0005856 GO:0005886 GO:0005905 GO:0005938 GO:0006897 GO:0008289 GO:0016020 GO:0016023 GO:0016192 GO:0031410 GO:0042802 GO:0043547
120.110.5335.390.050.883q0kD GO:0005215 GO:0005654 GO:0005737 GO:0005768 GO:0005769 GO:0005829 GO:0005856 GO:0005886 GO:0005901 GO:0005911 GO:0005913 GO:0005925 GO:0006897 GO:0008092 GO:0008289 GO:0016020 GO:0019898 GO:0030036 GO:0030100 GO:0030659 GO:0031410 GO:0032587 GO:0036010 GO:0042802 GO:0042995 GO:0043231 GO:0045806 GO:0048858 GO:0055038 GO:0070062 GO:0070300 GO:0070836 GO:0072584 GO:0097320 GO:0098609 GO:0098641
130.110.5225.300.070.833i2wA GO:0000281 GO:0005543 GO:0005768 GO:0005829 GO:0005886 GO:0007053 GO:0007112 GO:0007269 GO:0008289 GO:0030100 GO:0030496 GO:0032154 GO:0036090 GO:0045211 GO:0045887 GO:0048488 GO:0061024 GO:0071212
140.100.5295.320.060.863syvB GO:0005654 GO:0005737 GO:0005768 GO:0005802 GO:0005886 GO:0006897 GO:0008092 GO:0008289 GO:0016020 GO:0019855 GO:0045806 GO:0051044 GO:0051926 GO:0070062 GO:0097320
150.090.5155.210.080.822d1lA GO:0001701 GO:0002230 GO:0003779 GO:0003785 GO:0005102 GO:0005737 GO:0005856 GO:0005912 GO:0007009 GO:0007015 GO:0007399 GO:0007517 GO:0010960 GO:0015629 GO:0030036 GO:0030041 GO:0030282 GO:0032233 GO:0034334 GO:0042802 GO:0050680 GO:0051015 GO:0061333 GO:0071498 GO:0072001 GO:0072102 GO:0072160 GO:0098792 GO:2001013
160.080.6304.220.060.901y2oA GO:0001726 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005913 GO:0007009 GO:0007409 GO:0008022 GO:0008093 GO:0008286 GO:0008360 GO:0009617 GO:0014069 GO:0015629 GO:0016020 GO:0016358 GO:0030141 GO:0030165 GO:0030175 GO:0030838 GO:0032956 GO:0038096 GO:0042802 GO:0042995 GO:0043005 GO:0043025 GO:0043197 GO:0048010 GO:0048167 GO:0051017 GO:0051764 GO:0061003 GO:0070062 GO:0070064 GO:0097481 GO:0098609 GO:0098641 GO:2000251
170.070.6154.930.070.965c1fA GO:0001786 GO:0005547 GO:0005737 GO:0005826 GO:0005829 GO:0005856 GO:0007049 GO:0007067 GO:0051301 GO:0070273 GO:1903475
180.060.3284.400.050.475chxA GO:0000146 GO:0000166 GO:0000793 GO:0001725 GO:0002026 GO:0002027 GO:0003009 GO:0003677 GO:0003774 GO:0003779 GO:0005516 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005813 GO:0005829 GO:0005859 GO:0005958 GO:0006281 GO:0006302 GO:0006303 GO:0006310 GO:0006936 GO:0006941 GO:0006974 GO:0007512 GO:0008022 GO:0010165 GO:0014728 GO:0014883 GO:0016459 GO:0016874 GO:0016887 GO:0016925 GO:0030016 GO:0030017 GO:0030018 GO:0030049 GO:0030054 GO:0030898 GO:0031449 GO:0032807 GO:0032982 GO:0042803 GO:0046034 GO:0046982 GO:0051103 GO:0051351 GO:0055010 GO:0060048 GO:0070419 GO:0071285 GO:0075713


Consensus prediction of GO terms
 
Molecular Function GO:0030234 GO:0046983 GO:0008200 GO:0005246 GO:0015631 GO:0032559 GO:0035639 GO:0004672 GO:0005102 GO:0032550 GO:0035091
GO-Score 0.34 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.30
Biological Processes GO:0051704 GO:0050790 GO:0044092 GO:0044396 GO:0030866 GO:0061640 GO:0044802 GO:0006884 GO:0055082 GO:0030104 GO:0006898 GO:0071470 GO:1903047 GO:0030031 GO:0006971 GO:0010256 GO:0031154 GO:0051043 GO:0030100 GO:0045732 GO:0031331 GO:0043271 GO:0051924 GO:0045862 GO:0051129 GO:0038127 GO:0033006 GO:0031113 GO:0032386 GO:0042221 GO:0031112 GO:0002886 GO:0045666 GO:2000249 GO:0022604 GO:0010975 GO:0051270 GO:0018108 GO:0042330 GO:0043300 GO:0006952 GO:0032273 GO:0031346 GO:0031023 GO:0008283 GO:0040012 GO:0046777 GO:1903708 GO:0043303 GO:0045637 GO:0048870 GO:0007155
GO-Score 0.57 0.34 0.34 0.34 0.34 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33
Cellular Component GO:0005940 GO:0005937 GO:0032161 GO:0044463 GO:0000399 GO:0005773 GO:0015629 GO:0030139 GO:0043234 GO:0098589 GO:1903561 GO:0098791 GO:0031981 GO:0005924 GO:0009898 GO:0019897
GO-Score 0.34 0.34 0.34 0.34 0.34 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33

(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.