[Home] [Server] [About] [Statistics] [Annotation]

I-TASSER results for job id Rv0514

[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
10.36 81 3bknC HEM Rep, Mult 18,21,22,25,62,66,69,70,72,73
20.04 9 3gvyC HEM Rep, Mult 18,25,69,70,72,73
30.03 7 4m70A III Rep, Mult 24,27,64,68
40.03 7 1mz9B VDY Rep, Mult 67,70,74
50.02 4 4tt0A IOD Rep, Mult 73,74,77
60.02 4 4retB 17F Rep, Mult 58,59,62,66
70.01 3 2kp8B XIG Rep, Mult 17,18,19,75,76,78,79,82
80.01 3 4brbC 78N Rep, Mult 32,35,54,62
90.01 2 5l1gC GYB Rep, Mult 63,66,67,70
100.01 2 3mmhB MG Rep, Mult 53,54
110.00 1 1izlC CLA Rep, Mult 8,11,12,13,15,16
120.00 1 2wsc1 CLA Rep, Mult 7,10
130.00 1 3arcc CA Rep, Mult 60,62,67,68
140.00 1 1kyoE SMA Rep, Mult 98,99
150.00 1 3m9iA 3PE Rep, Mult 22,26
160.00 1 2wycA 3LA Rep, Mult 57,60
170.00 1 3rrpA LMR Rep, Mult 34,35,38,47,50,56
180.00 1 2o01G CLA Rep, Mult 42,46
190.00 1 4amjB 2CV Rep, Mult 1,6

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
10.1441urfA0.5392.930.0920.7582.7.11.1314,18
20.1201wu0A0.4992.790.1140.6973.6.3.14NA
30.1122w5jA0.5402.600.0920.7683.6.3.14NA
40.1011a91A0.5712.510.0780.7783.6.3.14NA
50.0751cxzB0.5322.310.0880.6872.7.11.13NA
60.0601xzpA0.5903.650.0740.9193.6.5.-NA
70.0601yfeA0.6263.630.1220.9294.2.1.2NA
80.0601dcnB0.5823.120.1160.8494.3.2.1NA
90.0601dofA0.6033.250.0640.8694.3.2.2NA
100.0602zr3B0.5663.210.0430.8286.1.1.11NA
110.0601a31A0.3863.850.0260.6675.99.1.2NA
120.0601yfmA0.5973.430.0540.8894.2.1.2NA
130.0601i0aA0.5783.130.1070.8384.3.2.1NA
140.0602occN0.6063.630.0630.9191.9.3.1NA
150.0601m56A0.6053.660.0530.9191.9.3.177
160.0601qleA0.5993.740.0420.9291.9.3.177
170.0603czoB0.5463.680.0970.8284.3.1.3NA
180.0601k7wD0.5903.030.1050.8494.3.2.1NA
190.0601sc7A0.6152.790.0610.7985.99.1.2NA
200.0603e04D0.5813.740.0340.8594.2.1.2NA
210.0601fftA0.5783.860.0950.9291.10.3.-NA
220.0601eiyA0.5772.850.0450.7886.1.1.20NA
230.0603ikmD0.5693.620.0000.9092.7.7.7NA
240.0602iw5A0.6093.140.0630.8491.-.-.-NA

(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
00.160.6622.400.020.843k29A GO:0042802
10.140.5903.000.070.813p30A
20.130.6412.770.050.844bneA 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
30.130.6103.180.070.913q0kD 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
40.130.6063.130.030.913i2wA 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
50.110.4883.810.050.782ezoA GO:0005198 GO:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0020002 GO:0033644 GO:0039663 GO:0044174 GO:0044175 GO:0046718 GO:0055036
60.110.6732.960.090.923syvC 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
70.110.5902.780.120.823wfvA GO:0005198 GO:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0020002 GO:0033644 GO:0039663 GO:0044174 GO:0044175 GO:0046718 GO:0055036
80.110.5412.700.070.723k9aA
90.100.6043.290.070.913syvB 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
100.090.6812.910.080.933i9wA GO:0000155 GO:0000160 GO:0000166 GO:0004673 GO:0004721 GO:0004871 GO:0005524 GO:0005622 GO:0005886 GO:0006470 GO:0007165 GO:0009061 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0016868 GO:0018106 GO:0023014 GO:0046777 GO:0071310
110.090.5613.270.060.821envA GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0002223 GO:0003677 GO:0003682 GO:0003700 GO:0005198 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0019064 GO:0019082 GO:0020002 GO:0030683 GO:0033644 GO:0039654 GO:0039663 GO:0042802 GO:0043565 GO:0044174 GO:0044175 GO:0045899 GO:0046718 GO:0055036 GO:0060261 GO:0075509 GO:0075512 GO:1903833
120.090.5062.590.090.663cp1A GO:0005198 GO:0019031
130.090.6133.270.030.923i2wB 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
140.070.6033.260.060.902eflA 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
150.070.6353.340.040.912efkA 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
160.070.5613.760.080.881qbzA GO:0005198 GO:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0020002 GO:0033644 GO:0039663 GO:0044174 GO:0044175 GO:0046718 GO:0055036
170.070.5813.320.110.894wpeA 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
180.070.5973.390.050.923m3wB 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
190.070.6093.190.080.841u4qA GO:0003779 GO:0005509 GO:0005516 GO:0005737 GO:0005856 GO:0005938 GO:0046872 GO:0051693
200.070.6932.760.070.923qniA GO:0005543 GO:0005737 GO:0005768 GO:0005829 GO:0005886 GO:0006897 GO:0007015 GO:0008092 GO:0008289 GO:0016020 GO:0030054 GO:0030100 GO:0030137 GO:0030659 GO:0031410 GO:0032587 GO:0042995 GO:0043005 GO:0043209 GO:0043679 GO:0045202 GO:0045806 GO:0048471 GO:0048488 GO:0048666 GO:0048812 GO:0072657 GO:0090002 GO:0097320 GO:1900006
210.070.6203.190.050.923haiA GO:0005543 GO:0005737 GO:0005768 GO:0005829 GO:0005886 GO:0006897 GO:0007015 GO:0008092 GO:0008289 GO:0016020 GO:0030054 GO:0030100 GO:0030137 GO:0030659 GO:0031410 GO:0032587 GO:0042995 GO:0043005 GO:0043209 GO:0043679 GO:0045202 GO:0045806 GO:0048471 GO:0048488 GO:0048666 GO:0048812 GO:0072657 GO:0090002 GO:0097320 GO:1900006
220.070.6093.430.050.915c1fA GO:0001786 GO:0005547 GO:0005737 GO:0005826 GO:0005829 GO:0005856 GO:0007049 GO:0007067 GO:0051301 GO:0070273 GO:1903475
230.070.6282.890.060.853o1jA GO:0000155 GO:0000160 GO:0000166 GO:0004673 GO:0004871 GO:0005524 GO:0005622 GO:0007165 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0018106 GO:0023014
240.070.5423.370.060.803v47C GO:0005198 GO:0005576 GO:0009288 GO:0009420 GO:0071973
250.070.6073.440.080.893i9yA GO:0000155 GO:0000160 GO:0000166 GO:0004673 GO:0004871 GO:0005524 GO:0005622 GO:0007165 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0018106 GO:0023014


Consensus prediction of GO terms
 
Molecular Function GO:0005515 GO:0043168 GO:0008289
GO-Score 0.54 0.49 0.34
Biological Processes GO:0051051 GO:0051129 GO:1902589 GO:0007010 GO:0044854 GO:0030029 GO:0030100
GO-Score 0.49 0.49 0.49 0.49 0.49 0.49 0.34
Cellular Component GO:0044853 GO:0001726 GO:0031253 GO:0012506 GO:0055037 GO:0005924 GO:0044433 GO:0043232 GO:0016023 GO:0031256 GO:0010008 GO:0005829
GO-Score 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.34

(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.