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I-TASSER results for job id Rv0320

[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
10.34 11 4murA ZN Rep, Mult 138,145,203
20.09 3 3d1mA ZN Rep, Mult 145,182,203
30.03 1 2zyhA CA Rep, Mult 130,131,140,142,145
40.03 1 3od4A ZN Rep, Mult 198,200
50.03 1 2ibg1 III Rep, Mult 52,53,55,56,57,62,162,181

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
10.0601kb0A0.3886.000.0490.6861.1.99.-NA
20.0601eulA0.4015.540.0600.6683.6.3.8NA
30.0601gpeA0.3955.560.0530.6641.1.3.4NA
40.0602j3lB0.4005.420.0440.6416.1.1.15NA
50.0601trkA0.3705.750.0660.6272.2.1.1112
60.0602ffvA0.3625.870.0530.6362.4.1.41NA
70.0602pulA0.3865.800.0380.6642.7.1.100NA
80.0601e6yE0.4036.050.0650.7092.8.4.1NA
90.0602nx9B0.3885.320.0660.6364.1.1.3NA
100.0602iukB0.3975.770.0400.6771.13.11.12NA
110.0601cs1A0.3835.940.0260.6862.5.1.48NA
120.0601tplA0.3945.000.0700.6094.1.99.2NA
130.0601ay0A0.3835.910.0500.6642.2.1.1NA
140.0601ytmA0.3915.650.0590.6734.1.1.49109
150.0601cf3A0.3835.550.0420.6411.1.3.4NA
160.0601hbmA0.3646.400.0520.6912.8.4.1NA
170.0601ygeA0.3915.820.0310.6731.13.11.12NA
180.0601htoA0.3824.590.0240.5506.3.1.2NA
190.0602iukA0.3975.800.0260.6861.13.11.12NA

(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
00.390.5363.040.110.652wfrA GO:0005113 GO:0005509 GO:0005576 GO:0005615 GO:0005886 GO:0006508 GO:0007267 GO:0007275 GO:0007286 GO:0008233 GO:0008270 GO:0016020 GO:0016787 GO:0030238 GO:0032355 GO:0033327 GO:0042552 GO:0043627 GO:0046872 GO:0050810
10.360.5352.770.120.643m1nB GO:0000122 GO:0001525 GO:0001569 GO:0001570 GO:0001656 GO:0001658 GO:0001708 GO:0001755 GO:0001822 GO:0001942 GO:0001944 GO:0001947 GO:0001948 GO:0002052 GO:0002053 GO:0002076 GO:0002320 GO:0003140 GO:0005113 GO:0005509 GO:0005539 GO:0005576 GO:0005578 GO:0005615 GO:0005622 GO:0005788 GO:0005829 GO:0005886 GO:0006355 GO:0006508 GO:0006897 GO:0007224 GO:0007228 GO:0007267 GO:0007275 GO:0007368 GO:0007389 GO:0007398 GO:0007405 GO:0007411 GO:0007417 GO:0007418 GO:0007442 GO:0007507 GO:0007596 GO:0008209 GO:0008233 GO:0008270 GO:0008283 GO:0008284 GO:0009790 GO:0009880 GO:0009949 GO:0009952 GO:0009953 GO:0009986 GO:0010463 GO:0010468 GO:0010628 GO:0010629 GO:0014003 GO:0014706 GO:0014858 GO:0014902 GO:0016015 GO:0016020 GO:0016539 GO:0016787 GO:0021513 GO:0021522 GO:0021794 GO:0021904 GO:0021930 GO:0021938 GO:0021940 GO:0021978 GO:0030010 GO:0030162 GO:0030177 GO:0030178 GO:0030323 GO:0030324 GO:0030326 GO:0030336 GO:0030539 GO:0030850 GO:0030878 GO:0030900 GO:0030901 GO:0030902 GO:0031016 GO:0031069 GO:0032435 GO:0033077 GO:0033089 GO:0033092 GO:0034244 GO:0034504 GO:0035115 GO:0035116 GO:0042127 GO:0042130 GO:0042177 GO:0042307 GO:0042475 GO:0042476 GO:0042481 GO:0042733 GO:0043010 GO:0043066 GO:0043237 GO:0043369 GO:0043588 GO:0045059 GO:0045060 GO:0045109 GO:0045121 GO:0045165 GO:0045445 GO:0045596 GO:0045597 GO:0045880 GO:0045893 GO:0045944 GO:0046638 GO:0046639 GO:0046872 GO:0048468 GO:0048538 GO:0048546 GO:0048557 GO:0048568 GO:0048589 GO:0048598 GO:0048617 GO:0048643 GO:0048645 GO:0048646 GO:0048663 GO:0048706 GO:0048709 GO:0048714 GO:0048754 GO:0048839 GO:0048856 GO:0048859 GO:0048864 GO:0051146 GO:0051155 GO:0051781 GO:0060020 GO:0060021 GO:0060070 GO:0060173 GO:0060174 GO:0060425 GO:0060428 GO:0060438 GO:0060439 GO:0060441 GO:0060442 GO:0060445 GO:0060447 GO:0060458 GO:0060459 GO:0060463 GO:0060484 GO:0060516 GO:0060523 GO:0060662 GO:0060664 GO:0060684 GO:0060685 GO:0060738 GO:0060768 GO:0060769 GO:0060782 GO:0060783 GO:0060840 GO:0060916 GO:0061053 GO:0061189 GO:0071285 GO:0071542 GO:0072001 GO:0072136 GO:0080125 GO:0090090 GO:0090370 GO:0097190 GO:1900175 GO:1900180 GO:1904339 GO:2000062 GO:2000063 GO:2000357 GO:2000358 GO:2000729 GO:2001054
20.080.3913.870.110.544oxdA GO:0006508 GO:0008233 GO:0046872
30.070.5272.540.120.612ibgE GO:0001745 GO:0001746 GO:0001751 GO:0002385 GO:0004175 GO:0005113 GO:0005119 GO:0005576 GO:0005615 GO:0005634 GO:0005737 GO:0005768 GO:0005886 GO:0006357 GO:0006508 GO:0007224 GO:0007228 GO:0007267 GO:0007275 GO:0007280 GO:0007346 GO:0007367 GO:0007386 GO:0007398 GO:0007418 GO:0007424 GO:0007427 GO:0007440 GO:0007442 GO:0007446 GO:0007447 GO:0007458 GO:0007473 GO:0007474 GO:0007478 GO:0007487 GO:0007498 GO:0007506 GO:0007507 GO:0008233 GO:0008347 GO:0008354 GO:0008544 GO:0008595 GO:0009653 GO:0009880 GO:0016015 GO:0016020 GO:0016023 GO:0016335 GO:0016539 GO:0016540 GO:0016787 GO:0021960 GO:0030139 GO:0030707 GO:0030713 GO:0030908 GO:0031397 GO:0035215 GO:0035217 GO:0035224 GO:0035231 GO:0035232 GO:0035277 GO:0035288 GO:0035289 GO:0035290 GO:0040007 GO:0042078 GO:0042127 GO:0042306 GO:0042993 GO:0045168 GO:0045464 GO:0045743 GO:0045861 GO:0045880 GO:0046620 GO:0046872 GO:0048066 GO:0048099 GO:0048100 GO:0048103 GO:0048592 GO:0060914 GO:2000274
40.070.5402.920.120.653k7hB GO:0001501 GO:0001947 GO:0005113 GO:0005509 GO:0005576 GO:0005615 GO:0005886 GO:0006508 GO:0007224 GO:0007267 GO:0007275 GO:0008233 GO:0009968 GO:0016020 GO:0016539 GO:0016787 GO:0032332 GO:0032355 GO:0033085 GO:0033088 GO:0033089 GO:0042733 GO:0043066 GO:0045595 GO:0045880 GO:0045944 GO:0046638 GO:0046639 GO:0046872 GO:0050679 GO:0051216 GO:0060135 GO:0061053
50.070.4504.350.120.644ox3A GO:0004180 GO:0005886 GO:0006508 GO:0008233 GO:0016020 GO:0016787
60.060.4364.060.140.604jidA GO:0004180 GO:0006508 GO:0008233 GO:0016020 GO:0016021 GO:0046872
70.060.4294.440.110.614f78A GO:0004180 GO:0006508 GO:0008233 GO:0046872
80.060.4273.780.120.584oakA GO:0004180 GO:0006508 GO:0008233 GO:0046872
90.060.3865.240.060.621rqeA GO:0003824 GO:0016740 GO:0046872 GO:0047154
100.060.4093.760.140.545hnmB GO:0004180 GO:0005886 GO:0006508 GO:0008233 GO:0008360 GO:0009002 GO:0009252 GO:0016020 GO:0016021 GO:0016787 GO:0046677 GO:0071555
110.060.2976.270.050.554jgaA GO:0003824 GO:0006633 GO:0008152 GO:0016740 GO:0016746 GO:0016747 GO:0033817
120.060.3176.340.010.583bg3A GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0005737 GO:0005739 GO:0005759 GO:0005829 GO:0006090 GO:0006094 GO:0006107 GO:0006629 GO:0006768 GO:0008152 GO:0009374 GO:0010629 GO:0016874 GO:0019074 GO:0031406 GO:0044791 GO:0044794 GO:0046872
130.060.3386.450.060.652qf7B GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
140.060.3185.870.080.564rcnA GO:0003824 GO:0004075 GO:0005524 GO:0016874 GO:0046872
150.060.3385.850.070.601bxrA GO:0000050 GO:0000166 GO:0003824 GO:0004087 GO:0004088 GO:0005524 GO:0005829 GO:0005951 GO:0006221 GO:0006526 GO:0006807 GO:0008652 GO:0016597 GO:0016874 GO:0019856 GO:0044205 GO:0046872
160.060.3166.540.050.604qslD GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872
170.060.3385.000.060.511yqeA GO:0008270 GO:0016787 GO:0016788 GO:0019478 GO:0046872 GO:0051499
180.060.3246.210.060.594hnvB GO:0000166 GO:0003677 GO:0003824 GO:0004075 GO:0004736 GO:0005524 GO:0006090 GO:0006094 GO:0009374 GO:0016874 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0008233 GO:0005113 GO:0005509 GO:0008270 GO:0016015 GO:0005539 GO:0001948 GO:0043237
GO-Score 0.69 0.66 0.64 0.61 0.40 0.36 0.36 0.36
Biological Processes GO:0045880 GO:0016539 GO:0032355 GO:0007442 GO:0007228 GO:0009880 GO:0007418 GO:0007398 GO:0001947 GO:0042733 GO:0046638 GO:0045944 GO:0046639 GO:0007286 GO:0043627 GO:0033327 GO:0042552 GO:0030238 GO:0050810 GO:2000358 GO:0048538 GO:0060782 GO:0014858 GO:0021978 GO:0060916 GO:0002320 GO:0060523 GO:0045059 GO:0060662 GO:0021513 GO:0060447 GO:0035116 GO:0008209 GO:0007596 GO:0060458 GO:0060463 GO:0051155 GO:0043010 GO:0048643 GO:0033092 GO:0001569 GO:0061189 GO:0060428 GO:0021794 GO:0031069 GO:0048617 GO:0030539 GO:0045060 GO:0021938 GO:0043369 GO:0048557 GO:0072136 GO:0034244 GO:0060840 GO:2000357 GO:2000063 GO:0060439 GO:0060445 GO:0060769 GO:0001708 GO:0014902 GO:0071285 GO:0030336 GO:0060020 GO:0060484 GO:2000729 GO:0032435 GO:0042307 GO:1904339 GO:0007411 GO:0021904 GO:0060685 GO:0030010 GO:0045445 GO:0042130 GO:0097190 GO:0030901 GO:0042475 GO:0030878 GO:0002052 GO:0090090 GO:0048859 GO:0035115 GO:0021522 GO:0048663 GO:2000062 GO:0002076 GO:0048706 GO:0060516 GO:0060174 GO:0060021 GO:0009949 GO:0006897 GO:0001755 GO:0031016 GO:0014003 GO:0042481 GO:0030177 GO:2001054 GO:0048839 GO:0060459 GO:0090370 GO:0060783 GO:0048714 GO:0001570 GO:1900175 GO:0080125 GO:0048864 GO:0045109 GO:0001658 GO:0051781 GO:0060664
GO-Score 0.44 0.44 0.43 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.40 0.39 0.39 0.39 0.39 0.39 0.39 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36
Cellular Component GO:0005615 GO:0005886 GO:0005788 GO:0045121 GO:0005829 GO:0005578 GO:0009986
GO-Score 0.66 0.66 0.36 0.36 0.36 0.36 0.36

(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.