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I-TASSER results for job id Rv3022A

[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
10.16 41 2htnA HEM Rep, Mult 18,21,22,25,66,70,73,74,76,77
20.10 24 1veqB FE Rep, Mult 25,28,62,66
30.06 14 1hjbA NUC Rep, Mult 47,48,51,52,54,55,58
40.05 12 2y02A 2CV Rep, Mult 21,24,65,69,72
50.04 11 2e42B NUC Rep, Mult 50,51,54,55,57,58,59,61
60.03 7 5da5A FE Rep, Mult 31,58,61
70.03 7 4tt3G III Rep, Mult 71,72,75,76,79
80.02 5 2hh1M PC7 Rep, Mult 16,17,71,72
90.02 6 1jigA FE Rep, Mult 67,71
100.02 5 1izlC CLA Rep, Mult 10,82,83,86
110.01 3 1i4d1 III Rep, Mult 15,18,21,22,25,26,28,29,30,32,33,66,69,73,76,77
120.01 2 1s5lk CLA Rep, Mult 41,46
130.00 1 1r3nF BIB Rep, Mult 4,80
140.00 1 1i4d0 III Rep, Mult 13,20,24,27,30,34,37,40,41,43,47,49,50,53,57

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
10.2973e7kH0.4711.490.1610.5382.7.11.169,74,82
20.1501cxzB0.5442.480.0930.7122.7.11.1331
30.1361urfA0.5112.680.0390.6922.7.11.1315
40.1211wu0A0.5042.600.1130.6733.6.3.14NA
50.0603czoB0.5843.560.0200.8754.3.1.3NA
60.0601clqA0.6223.450.0420.8462.7.7.757
70.0601tj7A0.6083.340.0740.8084.3.2.1NA
80.0602frvD0.5793.400.0740.8171.12.2.1NA
90.0601yfmA0.6292.960.0700.8464.2.1.2NA
100.0601q5nA0.5793.100.0600.7985.5.1.2NA
110.0602wpnB0.5813.500.0820.7881.12.7.2NA
120.0602zr3B0.6852.860.0510.8946.1.1.1163
130.0602pfdB0.6143.260.1350.8752.1.2.5,4.3.1.4NA
140.0601fftA0.5803.320.0440.7881.10.3.-NA
150.0603errA0.6082.960.0670.8656.1.1.1118,74
160.0601m56A0.6153.510.0680.8851.9.3.1NA
170.0601serB0.5833.550.0820.8856.1.1.11NA
180.0601occA0.5833.240.0430.7981.9.3.1NA
190.0603g61A0.6872.340.0740.8563.6.3.44NA
200.0603no9A0.6382.700.1210.8374.2.1.278
210.0603lssB0.5853.190.0780.8176.1.1.1140,42
220.0601sesA0.6323.430.1180.9236.1.1.1132
230.0601qleA0.6103.280.0500.8561.9.3.1NA

(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
00.160.7852.380.050.964e68A GO:0000790 GO:0000978 GO:0000981 GO:0001077 GO:0001103 GO:0001228 GO:0001659 GO:0001754 GO:0003677 GO:0003700 GO:0004871 GO:0004879 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005743 GO:0005829 GO:0005886 GO:0006351 GO:0006355 GO:0006366 GO:0006606 GO:0006953 GO:0007165 GO:0007259 GO:0007568 GO:0008134 GO:0008283 GO:0008285 GO:0010033 GO:0010628 GO:0010730 GO:0014070 GO:0016310 GO:0019221 GO:0019827 GO:0019901 GO:0019903 GO:0019953 GO:0030522 GO:0031490 GO:0031730 GO:0032355 GO:0032870 GO:0033210 GO:0034097 GO:0035259 GO:0035278 GO:0040014 GO:0042493 GO:0042517 GO:0042593 GO:0042755 GO:0042802 GO:0043066 GO:0043434 GO:0043565 GO:0044212 GO:0044320 GO:0044321 GO:0045471 GO:0045747 GO:0045820 GO:0045893 GO:0045944 GO:0046902 GO:0046983 GO:0048708 GO:0051726 GO:0060019 GO:0060259 GO:0060396 GO:0060397 GO:0060548 GO:0070102 GO:0071345 GO:0071407 GO:0090575 GO:0097009 GO:1901215 GO:1902728 GO:1902895 GO:1904685 GO:2000637 GO:2000737 GO:2001171 GO:2001223
10.150.7762.020.120.951i49A GO:0001726 GO:0005525 GO:0005737 GO:0005829 GO:0005886 GO:0005913 GO:0005938 GO:0006928 GO:0007264 GO:0019904 GO:0030032 GO:0030036 GO:0030742 GO:0031529 GO:0032588 GO:0034315 GO:0048365 GO:0070273 GO:0098609 GO:0098641
20.140.7432.400.050.961y1uA GO:0000255 GO:0000979 GO:0001553 GO:0001779 GO:0001938 GO:0003677 GO:0003700 GO:0004871 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006101 GO:0006103 GO:0006105 GO:0006107 GO:0006351 GO:0006355 GO:0006357 GO:0006549 GO:0006573 GO:0006600 GO:0006631 GO:0007165 GO:0007259 GO:0007565 GO:0007595 GO:0008284 GO:0018108 GO:0019218 GO:0019221 GO:0019530 GO:0019903 GO:0019915 GO:0030155 GO:0030856 GO:0030879 GO:0032825 GO:0033026 GO:0033077 GO:0038161 GO:0040014 GO:0040018 GO:0042104 GO:0043029 GO:0043066 GO:0043434 GO:0043536 GO:0045086 GO:0045579 GO:0045588 GO:0045621 GO:0045647 GO:0045931 GO:0045944 GO:0045954 GO:0046449 GO:0046543 GO:0046544 GO:0048541 GO:0050729 GO:0060376 GO:0060397 GO:0060740 GO:0060742 GO:0061180 GO:0070668 GO:0071345 GO:0071407 GO:0097011
30.110.7562.280.040.941yvlB GO:0000122 GO:0000790 GO:0000978 GO:0000979 GO:0000983 GO:0001937 GO:0002053 GO:0003340 GO:0003677 GO:0003690 GO:0003700 GO:0004871 GO:0005164 GO:0005634 GO:0005654 GO:0005730 GO:0005737 GO:0005829 GO:0005913 GO:0006351 GO:0006355 GO:0006357 GO:0006915 GO:0007165 GO:0007259 GO:0008015 GO:0016032 GO:0016525 GO:0019899 GO:0030424 GO:0030425 GO:0033209 GO:0034097 GO:0035456 GO:0035458 GO:0042802 GO:0042803 GO:0042981 GO:0043124 GO:0043434 GO:0043542 GO:0045893 GO:0045944 GO:0046725 GO:0048471 GO:0048661 GO:0051591 GO:0051607 GO:0060333 GO:0060334 GO:0060337 GO:0060338 GO:0061326 GO:0071345 GO:0071407 GO:0072136 GO:0072162 GO:0072308 GO:0098609 GO:0098641
40.100.7552.220.040.943cwgB GO:0000790 GO:0000978 GO:0000981 GO:0001077 GO:0001103 GO:0001228 GO:0001659 GO:0001754 GO:0003677 GO:0003700 GO:0004871 GO:0004879 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005743 GO:0005829 GO:0005886 GO:0006351 GO:0006355 GO:0006366 GO:0006606 GO:0006953 GO:0007165 GO:0007259 GO:0007568 GO:0008134 GO:0008283 GO:0008285 GO:0010033 GO:0010628 GO:0010730 GO:0014070 GO:0016310 GO:0019221 GO:0019827 GO:0019901 GO:0019903 GO:0019953 GO:0030522 GO:0031490 GO:0031730 GO:0032355 GO:0032870 GO:0033210 GO:0034097 GO:0035259 GO:0035278 GO:0040014 GO:0042493 GO:0042517 GO:0042593 GO:0042755 GO:0042802 GO:0043066 GO:0043434 GO:0043565 GO:0044212 GO:0044320 GO:0044321 GO:0045471 GO:0045747 GO:0045820 GO:0045893 GO:0045944 GO:0046902 GO:0046983 GO:0048708 GO:0051726 GO:0060019 GO:0060259 GO:0060396 GO:0060397 GO:0060548 GO:0070102 GO:0071345 GO:0071407 GO:0090575 GO:0097009 GO:1901215 GO:1902728 GO:1902895 GO:1904685 GO:2000637 GO:2000737 GO:2001171 GO:2001223
50.090.6402.040.040.783k9aA
60.080.6122.150.060.743p30A
70.070.7372.490.140.945jdoA GO:0016020 GO:0016021
80.070.6053.660.030.911uusA GO:0003677 GO:0003700 GO:0004871 GO:0005634 GO:0005737 GO:0005829 GO:0006351 GO:0006355 GO:0007165 GO:0010468 GO:0010628 GO:0030587 GO:0031149 GO:0031154 GO:0042803 GO:0044351 GO:0045892
90.070.5932.510.060.773wfvA 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
100.070.4942.430.070.641jq0A GO:0005198 GO:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0039663 GO:0044174 GO:0044175 GO:0046718 GO:0055036
110.070.5312.920.030.711ya9A GO:0001523 GO:0001540 GO:0001937 GO:0002021 GO:0005319 GO:0005543 GO:0005576 GO:0005615 GO:0005634 GO:0005783 GO:0005794 GO:0005829 GO:0005886 GO:0006629 GO:0006641 GO:0006695 GO:0006707 GO:0006810 GO:0006869 GO:0006874 GO:0006898 GO:0006979 GO:0007186 GO:0007263 GO:0008104 GO:0008201 GO:0008203 GO:0008289 GO:0010468 GO:0010544 GO:0010873 GO:0010875 GO:0015485 GO:0015909 GO:0016020 GO:0016209 GO:0017038 GO:0017127 GO:0019068 GO:0019433 GO:0019934 GO:0030195 GO:0030516 GO:0030828 GO:0031012 GO:0031103 GO:0032374 GO:0032489 GO:0032805 GO:0033344 GO:0033700 GO:0034361 GO:0034362 GO:0034363 GO:0034364 GO:0034372 GO:0034374 GO:0034375 GO:0034380 GO:0034382 GO:0034384 GO:0034447 GO:0042157 GO:0042158 GO:0042159 GO:0042311 GO:0042627 GO:0042632 GO:0042802 GO:0042803 GO:0043407 GO:0043524 GO:0043537 GO:0043691 GO:0044794 GO:0045541 GO:0046889 GO:0046911 GO:0048156 GO:0048844 GO:0050728 GO:0050750 GO:0051000 GO:0051044 GO:0051055 GO:0051651 GO:0055088 GO:0055089 GO:0060228 GO:0060999 GO:0061000 GO:0070062 GO:0070326 GO:0071813 GO:0072358 GO:0072562 GO:0090370 GO:0097113 GO:0097114 GO:0098869 GO:1900221 GO:1901214 GO:1901215 GO:1901216 GO:1901627 GO:1901628 GO:1901630 GO:1901631 GO:1902004 GO:1902430 GO:1902947 GO:1902951 GO:1902952 GO:1902995 GO:1902998 GO:1902999 GO:1903001 GO:1903002 GO:1903561
120.070.5663.110.030.811qbzA 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
130.070.5453.600.070.794yuub1 GO:0009507 GO:0009521 GO:0009523 GO:0009535 GO:0009536 GO:0009579 GO:0009767 GO:0009772 GO:0015979 GO:0016020 GO:0016021 GO:0016168 GO:0018298 GO:0019684 GO:0045156
140.070.5402.830.100.734y5wA GO:0000122 GO:0000790 GO:0000979 GO:0002296 GO:0002829 GO:0003677 GO:0003700 GO:0004871 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006351 GO:0006355 GO:0006357 GO:0007165 GO:0019221 GO:0019903 GO:0032481 GO:0033598 GO:0034097 GO:0035771 GO:0042127 GO:0042802 GO:0043565 GO:0045121 GO:0045944 GO:0048295 GO:0060443 GO:0070301 GO:1902170
150.070.5332.920.090.724y5uA GO:0000122 GO:0000790 GO:0000979 GO:0002296 GO:0002829 GO:0003677 GO:0003700 GO:0004871 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006351 GO:0006355 GO:0006357 GO:0007165 GO:0019221 GO:0019903 GO:0032481 GO:0033598 GO:0034097 GO:0035771 GO:0042127 GO:0042802 GO:0043565 GO:0045121 GO:0045944 GO:0048295 GO:0060443 GO:0070301 GO:1902170
160.070.4961.850.040.594qkwA GO:0005737 GO:0006351 GO:0006355 GO:0007275 GO:0007517 GO:0030017 GO:0030154 GO:0035023
170.060.3753.160.060.553iu6A GO:0000228 GO:0003677 GO:0003682 GO:0005634 GO:0005654 GO:0006338 GO:0006351 GO:0006355 GO:0007067 GO:0008285 GO:0016568 GO:0090544
180.060.3694.490.080.652blmA GO:0005886 GO:0008800 GO:0016020 GO:0016787 GO:0030655 GO:0046677
190.060.4134.040.090.704wqoD GO:0000082 GO:0005654 GO:0005730 GO:0005829 GO:0006511 GO:0007050 GO:0008285 GO:0016032 GO:0016567 GO:0030163 GO:0030891 GO:0031461 GO:0031462 GO:0031625 GO:0032403 GO:0042787 GO:0061418 GO:0061630 GO:0097193
200.060.3703.670.030.543bghA GO:0009279
210.060.3292.360.030.391dipA GO:0003700 GO:0005634 GO:0005737 GO:0006355 GO:0070236
220.060.2593.860.030.422izvA GO:0004860 GO:0005737 GO:0007175 GO:0009968 GO:0016567 GO:0019221 GO:0032436 GO:0035556 GO:0040008 GO:0046426
230.060.2685.270.050.573wvjB GO:0000272 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0042972


Consensus prediction of GO terms		 
Molecular Function GO:0098632 GO:0045296 GO:0048020 GO:0098531 GO:0070491 GO:0043566 GO:0035258 GO:0019900 GO:0000982 GO:0001085 GO:0003682 GO:0001046 GO:0004871 GO:0019903 GO:0000978 GO:0042802
GO-Score 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.47 0.42 0.35 0.33 0.33
Biological Processes GO:0007155 GO:0060148 GO:0042531 GO:0042127 GO:0033500 GO:2000736 GO:1903579 GO:0009895 GO:0071354 GO:0006839 GO:0033993 GO:0042326 GO:0097305 GO:1903427 GO:0044703 GO:0044320 GO:0060964 GO:0010728 GO:0007006 GO:1905050 GO:0030336 GO:0006110 GO:1902893 GO:0050795 GO:1904683 GO:0098727 GO:1900373 GO:0042516 GO:0046530 GO:1902593 GO:0040033 GO:1901214 GO:2001169 GO:1903580 GO:0007417 GO:2001222 GO:0007049 GO:0051198 GO:0010950 GO:0007631 GO:0050768 GO:0048871 GO:0048592 GO:0008593 GO:0002526 GO:0010677 GO:0010727 GO:0017038 GO:0090559 GO:0010001 GO:0044744 GO:0071407 GO:0045944 GO:0060397 GO:0019221 GO:0040014 GO:0043066
GO-Score 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.42 0.42 0.35 0.35 0.35 0.35
Cellular Component GO:0005829 GO:0005912 GO:0005911 GO:0019866 GO:0044798 GO:0031966 GO:0005654 GO:0005886 GO:0000790
GO-Score 0.51 0.49 0.49 0.49 0.49 0.49 0.42 0.35 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.