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

I-TASSER results for job id Rv3477

[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
10.21 94 3is7K HEM Rep, Mult 18,21,22,25,66,70,73,74,76,77
20.10 44 2e42A NUC Rep, Mult 47,48,51,52,54,55,56
30.08 35 2yjjI OFE Rep, Mult 25,28,62,66
40.07 27 1fz1A FE Rep, Mult 17,72,75
50.05 25 1gtwB NUC Rep, Mult 54,57,58,60,61,62,64
60.03 11 3wuvN III Rep, Mult 59,62,73,80
70.02 11 4eotA NUC Rep, Mult 54,55,59,62,63,66
80.01 7 2r5dC III Rep, Mult 76,79,80,83,87
90.01 4 1t8zE 12P Rep, Mult 50,54,57,61,64,68,71
100.01 3 2y02A 2CV Rep, Mult 32,35,54,58,61
110.01 5 4mbeE III Rep, Mult 58,61,62,65,66,68,69,72
120.01 6 1jb0B CLA Rep, Mult 13,17,20,68,72
130.00 1 1xrmA III Rep, Mult 76,79
140.00 1 3d1lB MPR Rep, Mult 79,97,98
150.00 2 1y66A DIO Rep, Mult 46,50

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
10.3842w5jA0.5083.060.0790.7353.6.3.1473
20.2452h8nA0.5291.230.0700.5713.5.1.9862,72
30.2353e7kH0.4731.950.0890.5512.7.11.1NA
40.2161wt6B0.5071.910.0810.5822.7.11.119,26
50.1661urfA0.5582.530.0260.7252.7.11.1322
60.1351cxzB0.5652.450.0270.7352.7.11.1324
70.0981wu0A0.5672.080.1410.7143.6.3.14NA
80.0601w07B0.6583.210.0830.8981.3.3.6NA
90.0601k7wD0.6092.880.0600.8474.3.2.1NA
100.0602b5uA0.6833.010.0610.9903.1.-.-NA
110.0601p49A0.5853.950.0740.9493.1.6.2NA
120.0603ffzA0.6083.870.0950.9593.4.24.69NA
130.0602iw5A0.6872.590.0970.8881.-.-.-36
140.0601y2mB0.5993.410.0850.8784.3.1.24NA
150.0603no9A0.6832.810.0740.8984.2.1.221
160.0601j3uA0.5903.030.0440.7964.3.1.156,57
170.0603g61A0.7152.730.0840.9493.6.3.4425
180.0602hvgA0.5792.560.0800.7754.3.2.2NA
190.0601dcnB0.5503.710.0640.8374.3.2.173
200.0601qleC0.5882.550.0560.7551.9.3.168
210.0601wleB0.6003.190.0980.8576.1.1.1135,55
220.0601eiyA0.6052.730.1450.7966.1.1.20NA
230.0602np0A0.5673.600.0410.9083.4.24.69NA
240.0602fonB0.6673.290.0740.8881.3.3.6NA
250.0602zr3B0.6213.250.0520.8786.1.1.11NA
260.0601qd1B0.3294.330.0680.5822.1.2.5,4.3.1.4NA

(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
00.400.8121.000.420.874kxrA GO:0005576 GO:0009405
10.310.4801.780.070.551dh3A GO:0000785 GO:0000790 GO:0000975 GO:0000978 GO:0000980 GO:0001102 GO:0001190 GO:0001666 GO:0003677 GO:0003690 GO:0003700 GO:0003705 GO:0005634 GO:0005654 GO:0005667 GO:0005719 GO:0005739 GO:0005759 GO:0006351 GO:0006355 GO:0006366 GO:0006468 GO:0007179 GO:0007219 GO:0007409 GO:0007568 GO:0007595 GO:0007613 GO:0007623 GO:0008134 GO:0008361 GO:0008542 GO:0010033 GO:0010629 GO:0010944 GO:0014823 GO:0019899 GO:0021983 GO:0030154 GO:0030424 GO:0030544 GO:0030879 GO:0032916 GO:0033363 GO:0033762 GO:0034670 GO:0035035 GO:0035094 GO:0035497 GO:0035729 GO:0036120 GO:0036276 GO:0040018 GO:0042493 GO:0042752 GO:0042802 GO:0042981 GO:0043065 GO:0043565 GO:0044212 GO:0045600 GO:0045672 GO:0045893 GO:0045899 GO:0045944 GO:0046887 GO:0046889 GO:0048145 GO:0048511 GO:0050821 GO:0055025 GO:0060251 GO:0060428 GO:0060430 GO:0060509 GO:0071294 GO:0071363 GO:0071398 GO:0071560 GO:1900273 GO:1901215 GO:1902065 GO:1990090 GO:1990314 GO:1990589 GO:1990763
20.300.4620.740.110.483he5A
30.250.6092.520.020.783p30A
40.220.6382.240.060.823wfvA 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
50.210.6092.620.050.855frgA GO:0005086 GO:0005737 GO:0005802 GO:0005856 GO:0005886 GO:0005938 GO:0006897 GO:0006914 GO:0008289 GO:0016020 GO:0016023 GO:0016192 GO:0031410 GO:0043547
60.190.5812.830.030.783k9aA
70.160.6222.800.040.871qbzA 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
80.160.6043.160.030.872ezoA 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
90.140.5512.330.070.713cp1A GO:0005198 GO:0019031
100.110.5962.760.010.761eboF GO:0005576 GO:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0020002 GO:0030683 GO:0033644 GO:0039502 GO:0039503 GO:0039587 GO:0039654 GO:0039663 GO:0046718 GO:0055036 GO:0075509 GO:0075512
110.100.4681.440.120.522x7rC GO:0002223 GO:0005198 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:0044174 GO:0044175 GO:0046718 GO:0055036 GO:0075509 GO:0075512
120.070.6992.850.130.933cfoA 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
130.070.8012.140.090.965c21A GO:0005886 GO:0006810 GO:0008565 GO:0009306 GO:0015031 GO:0016020 GO:0016021 GO:0019835 GO:0044179
140.070.4813.620.070.782v4dB GO:0005886 GO:0006810 GO:0006855 GO:0015238 GO:0016020 GO:0031226 GO:0046677 GO:0055085
150.070.5043.400.020.714ojjC 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
160.070.4803.540.060.764dk1B GO:0005886 GO:0006810 GO:0006855 GO:0015238 GO:0016020 GO:0031226 GO:0042802 GO:0046677 GO:0055085
170.070.4483.990.070.682y51A GO:0000166 GO:0008152 GO:0016491 GO:0016620 GO:0055114
180.070.4413.400.100.603vz2B GO:0000166 GO:0008152 GO:0016491 GO:0016620 GO:0055114
190.060.4042.580.060.531bshA GO:0005524 GO:0005886 GO:0006754 GO:0006810 GO:0006811 GO:0015986 GO:0015992 GO:0016020 GO:0042777 GO:0045260 GO:0045261 GO:0046933 GO:0046961
200.060.3823.980.070.552ggmA 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
210.060.4492.890.060.571pq4B GO:0005886 GO:0010043 GO:0030001 GO:0046872
220.060.3754.670.040.731m1cA GO:0019012 GO:0019028
230.060.3403.690.060.554xydB GO:0009055 GO:0016020 GO:0016021 GO:0016491 GO:0016966 GO:0020037 GO:0055114
240.060.3144.130.030.533jz3B GO:0000155 GO:0000160 GO:0000166 GO:0004673 GO:0005524 GO:0005622 GO:0005886 GO:0007165 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0016772 GO:0018106 GO:0023014
250.060.2943.800.050.442o7gB GO:0001666 GO:0003677 GO:0003700 GO:0006351 GO:0006352 GO:0006355 GO:0009405 GO:0009408 GO:0009410 GO:0009415 GO:0016987
260.060.3012.780.010.403nr8B GO:0001958 GO:0002376 GO:0003779 GO:0005737 GO:0005794 GO:0005829 GO:0005856 GO:0005886 GO:0006006 GO:0006661 GO:0006897 GO:0007015 GO:0007155 GO:0008285 GO:0009791 GO:0010629 GO:0016020 GO:0016787 GO:0017124 GO:0030027 GO:0030175 GO:0032868 GO:0034485 GO:0042169 GO:0042995 GO:0043647 GO:0044255 GO:0046856 GO:0052659 GO:0097178
270.060.3654.290.030.595d0uA GO:0000166 GO:0003676 GO:0004386 GO:0005524 GO:0008026 GO:0016787
280.060.2994.220.040.552k32A GO:0016020 GO:0055085
290.060.3034.140.050.554mjtA GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0035035 GO:0001102 GO:0030544 GO:0000978 GO:0035497 GO:0003705 GO:1990763 GO:0001190 GO:0000980 GO:0042802
GO-Score 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31
Biological Processes GO:0046718 GO:0044800 GO:0044650 GO:0009405 GO:0021983 GO:0007219 GO:0007409 GO:0060430 GO:0010944 GO:0007179 GO:0008361 GO:0060251 GO:0033363 GO:0014823 GO:0050821 GO:0040018 GO:0042752 GO:0032916 GO:0034670 GO:0071398 GO:0007595 GO:0036120 GO:1900273 GO:0001666 GO:0033762 GO:0007568 GO:0045600 GO:0046889 GO:1902065 GO:0048145 GO:0046887 GO:0008542 GO:0007613 GO:0035729 GO:1990090 GO:0035094 GO:0045899 GO:0071294 GO:1990314 GO:0055025 GO:1901215 GO:0045672 GO:0006468 GO:0036276 GO:0060509 GO:0043065
GO-Score 0.43 0.43 0.43 0.40 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31
Cellular Component GO:0033648 GO:0036338 GO:0033655 GO:0033644 GO:0005576 GO:0031224 GO:0005759 GO:0030424 GO:1990589 GO:0005654 GO:0005719
GO-Score 0.43 0.43 0.43 0.43 0.40 0.34 0.31 0.31 0.31 0.31 0.31

(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.