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I-TASSER results for job id Rv2770c

[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
10.07 3 1vd5A GLY Rep, Mult 117,133
20.07 3 2w0sB BVP Rep, Mult 24,28,31
30.05 2 3gjoA III Rep, Mult 150,154
40.04 2 1zvzA III Rep, Mult 15,20,23,24,27,30,31,97,154
50.04 2 4buoB GLY Rep, Mult 24,154
60.04 2 2fonB FAD Rep, Mult 51,53,68,69,72
70.04 2 3r6yC CA Rep, Mult 109,113,136
80.02 1 5l8gK CA Rep, Mult 142,145
90.02 1 2ibfA III Rep, Mult 35,36,38,39,42,43,46,49,50,70,76,80
100.02 1 1o7dC BMA Rep, Mult 145,149
110.02 1 3bvdA XE Rep, Mult 12,15,104,105
120.02 1 3hd7F GGG Rep, Mult 114,117
130.02 1 2fonA FAD Rep, Mult 59,61,62,65,366
140.02 1 2g381 III Rep, Mult 14,15,17,18,19,20,23,24,27,30,31,33,34,37,38,40,41,44,45,48,72,75,83,86,90,97,154,155,158,162,256,257

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
10.0603czoB0.3825.700.0610.5524.3.1.3NA
20.0601m56A0.3406.010.0540.5051.9.3.1NA
30.0601a8hA0.3416.590.0450.5446.1.1.10NA
40.0602iukA0.3517.030.0520.5971.13.11.12NA
50.0601hbmA0.3416.720.0540.5652.8.4.1NA
60.0603g61A0.3706.450.0550.5813.6.3.44NA
70.0602o6yA0.3696.010.0700.5394.3.1.-NA
80.0602x1lA0.3406.790.0550.5586.1.1.10NA
90.0601wz2A0.3586.960.0360.6076.1.1.418
100.0601occA0.3576.790.0500.5791.9.3.1NA
110.0602fonB0.3686.450.0600.5681.3.3.645
120.0602iw5A0.3447.530.0590.6261.-.-.-NA
130.0601gaxA0.3836.910.0500.6496.1.1.9NA
140.0601rqgA0.3466.880.0510.5766.1.1.1018
150.0601w07B0.3706.170.0490.5631.3.3.6NA
160.0601no3A0.3656.270.0360.5651.13.11.12NA
170.0601zjaA0.3256.800.0450.5315.4.99.11NA
180.0603i9wA0.3464.580.0490.4452.7.13.381
190.0601w36B0.3346.140.0540.5163.1.11.531,86,91

(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
00.220.3833.240.310.454kxrB GO:0005576 GO:0009405 GO:0009986
10.060.4365.430.060.625j65A GO:0030435
20.060.4094.800.070.542nrjA GO:0005576 GO:0009405 GO:0016020 GO:0016021 GO:0019835 GO:0020002 GO:0033644 GO:0044179
30.060.4204.610.060.554k1pB GO:0009405 GO:0016020
40.060.3986.150.070.604a01A GO:0004427 GO:0005773 GO:0005774 GO:0006810 GO:0006811 GO:0009678 GO:0015992 GO:0016020 GO:0016021 GO:0016787 GO:0046872 GO:0055085
50.060.3746.080.070.564av3B GO:0000287 GO:0004427 GO:0005509 GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0006814 GO:0009678 GO:0015081 GO:0015992 GO:0016020 GO:0016021 GO:0016787 GO:0030955 GO:0035725 GO:0042803 GO:0046872
60.060.2997.330.030.515dzcA GO:0000166 GO:0004672 GO:0004674 GO:0005524 GO:0006468 GO:0016301 GO:0016310 GO:0016740
70.060.3786.300.080.594av6A GO:0000287 GO:0004427 GO:0005509 GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0006814 GO:0009678 GO:0015081 GO:0015992 GO:0016020 GO:0016021 GO:0016787 GO:0030955 GO:0035725 GO:0042803 GO:0046872
80.060.2816.630.050.464k2rA GO:0000166 GO:0001772 GO:0001784 GO:0002250 GO:0002281 GO:0002283 GO:0002376 GO:0004672 GO:0004713 GO:0004715 GO:0005102 GO:0005524 GO:0005737 GO:0005829 GO:0005886 GO:0005911 GO:0006468 GO:0006954 GO:0006955 GO:0007169 GO:0016020 GO:0016301 GO:0016310 GO:0016740 GO:0018108 GO:0030217 GO:0031234 GO:0033630 GO:0035556 GO:0038083 GO:0042101 GO:0042110 GO:0042113 GO:0043306 GO:0043366 GO:0045059 GO:0045060 GO:0045061 GO:0045087 GO:0045121 GO:0045579 GO:0045582 GO:0046638 GO:0046641 GO:0046777 GO:0050850 GO:0050852 GO:0050853 GO:0070489 GO:0072678 GO:0090330
90.060.2816.500.030.454dq6A GO:0003824 GO:0009058 GO:0016740 GO:0030170
100.060.2446.820.030.404oliA GO:0000166 GO:0004672 GO:0004713 GO:0004715 GO:0005131 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0005856 GO:0006468 GO:0007169 GO:0016020 GO:0016301 GO:0016310 GO:0016477 GO:0016740 GO:0030154 GO:0031234 GO:0031702 GO:0035556 GO:0038083 GO:0042127 GO:0045087 GO:0060337 GO:0060338 GO:0070062
110.060.3706.170.050.561w07B GO:0000062 GO:0001676 GO:0003995 GO:0003997 GO:0005777 GO:0005829 GO:0006629 GO:0006631 GO:0006635 GO:0008152 GO:0009055 GO:0009506 GO:0009611 GO:0009620 GO:0009695 GO:0016491 GO:0016627 GO:0033539 GO:0046686 GO:0050660 GO:0052890 GO:0055088 GO:0055114
120.060.2847.130.040.494wb7A GO:0000086 GO:0000166 GO:0001671 GO:0001707 GO:0001843 GO:0002027 GO:0002223 GO:0003091 GO:0004672 GO:0004674 GO:0004691 GO:0004712 GO:0005524 GO:0005634 GO:0005654 GO:0005730 GO:0005737 GO:0005739 GO:0005794 GO:0005813 GO:0005829 GO:0005886 GO:0005913 GO:0005929 GO:0005952 GO:0006397 GO:0006457 GO:0006468 GO:0006986 GO:0007596 GO:0008284 GO:0010881 GO:0016020 GO:0016301 GO:0016310 GO:0016607 GO:0016740 GO:0018105 GO:0018107 GO:0019901 GO:0030544 GO:0031514 GO:0031588 GO:0031594 GO:0031625 GO:0032403 GO:0032781 GO:0034199 GO:0034237 GO:0034704 GO:0035584 GO:0042157 GO:0042995 GO:0043005 GO:0043234 GO:0043393 GO:0043457 GO:0044853 GO:0045667 GO:0046777 GO:0046827 GO:0048240 GO:0048471 GO:0050804 GO:0051082 GO:0051085 GO:0051087 GO:0051117 GO:0051447 GO:0051480 GO:0051966 GO:0055117 GO:0060314 GO:0061136 GO:0070062 GO:0070389 GO:0070613 GO:0071158 GO:0071333 GO:0071374 GO:0071377 GO:0071872 GO:0086064 GO:0090084 GO:0097225 GO:0097546 GO:0098609 GO:0098641 GO:1900034 GO:1901621 GO:1903779 GO:2000810
130.060.2547.240.060.454ejnA GO:0000060 GO:0000166 GO:0001649 GO:0001893 GO:0001934 GO:0001938 GO:0004672 GO:0004674 GO:0004712 GO:0005080 GO:0005524 GO:0005547 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005819 GO:0005829 GO:0005886 GO:0005911 GO:0005975 GO:0005977 GO:0005978 GO:0005979 GO:0006006 GO:0006412 GO:0006417 GO:0006464 GO:0006468 GO:0006469 GO:0006809 GO:0006810 GO:0006915 GO:0006924 GO:0006954 GO:0006974 GO:0006979 GO:0007165 GO:0007186 GO:0007275 GO:0007281 GO:0007399 GO:0007568 GO:0008283 GO:0008286 GO:0008637 GO:0008643 GO:0009408 GO:0009725 GO:0010033 GO:0010507 GO:0010629 GO:0010748 GO:0010763 GO:0010765 GO:0010907 GO:0010951 GO:0010975 GO:0014066 GO:0015630 GO:0015758 GO:0016020 GO:0016301 GO:0016310 GO:0016567 GO:0016740 GO:0018105 GO:0018107 GO:0019899 GO:0019901 GO:0021510 GO:0030030 GO:0030154 GO:0030163 GO:0030168 GO:0030212 GO:0030235 GO:0030307 GO:0030334 GO:0031018 GO:0031295 GO:0031641 GO:0031659 GO:0031663 GO:0031982 GO:0031999 GO:0032079 GO:0032094 GO:0032270 GO:0032287 GO:0032436 GO:0032794 GO:0032869 GO:0032880 GO:0033138 GO:0034405 GO:0035556 GO:0035924 GO:0036064 GO:0036294 GO:0038128 GO:0042593 GO:0042802 GO:0043065 GO:0043066 GO:0043154 GO:0043234 GO:0043325 GO:0043488 GO:0043491 GO:0043536 GO:0045429 GO:0045600 GO:0045725 GO:0045742 GO:0045792 GO:0045861 GO:0045907 GO:0045944 GO:0046326 GO:0046329 GO:0046777 GO:0046889 GO:0048009 GO:0048015 GO:0050999 GO:0051000 GO:0051091 GO:0051146 GO:0051721 GO:0060416 GO:0060644 GO:0060709 GO:0060716 GO:0070141 GO:0071260 GO:0071363 GO:0071364 GO:0071380 GO:0071407 GO:0071456 GO:0071889 GO:0072655 GO:0072656 GO:0090004 GO:0090201 GO:0097011 GO:0097194 GO:0098794 GO:0099565 GO:0100002 GO:1900182 GO:1901215 GO:1901653 GO:1901796 GO:1901976 GO:1902176 GO:1990090 GO:1990418 GO:2001240
140.060.2676.740.030.442ogvA GO:0000166 GO:0001934 GO:0002376 GO:0004672 GO:0004713 GO:0004714 GO:0005011 GO:0005524 GO:0005622 GO:0005886 GO:0005887 GO:0006468 GO:0006954 GO:0007165 GO:0007169 GO:0007275 GO:0007411 GO:0007519 GO:0008283 GO:0008284 GO:0008285 GO:0008360 GO:0009986 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0018108 GO:0019221 GO:0019903 GO:0019955 GO:0021772 GO:0021879 GO:0030097 GO:0030224 GO:0030225 GO:0030316 GO:0030335 GO:0031529 GO:0036006 GO:0038145 GO:0042517 GO:0042803 GO:0043066 GO:0045087 GO:0045124 GO:0045217 GO:0045672 GO:0046488 GO:0046777 GO:0048015 GO:0060603 GO:0061098 GO:0070374 GO:0071345 GO:0071902 GO:0090197 GO:1990682 GO:2000147 GO:2000249
150.060.2447.410.030.444tnbA GO:0000166 GO:0002029 GO:0004672 GO:0004674 GO:0004703 GO:0005080 GO:0005524 GO:0005543 GO:0005634 GO:0005737 GO:0005886 GO:0005925 GO:0006468 GO:0006915 GO:0007165 GO:0007188 GO:0007217 GO:0008277 GO:0008284 GO:0008289 GO:0016020 GO:0016055 GO:0016301 GO:0016310 GO:0016740 GO:0031965 GO:0042493 GO:0043066 GO:0045444 GO:0046777 GO:0047696 GO:0051726
160.060.2256.770.030.373a8xA GO:0000139 GO:0000166 GO:0004672 GO:0004674 GO:0004697 GO:0005524 GO:0005543 GO:0005634 GO:0005737 GO:0005768 GO:0005829 GO:0005886 GO:0005923 GO:0006468 GO:0006612 GO:0007010 GO:0007015 GO:0010976 GO:0015630 GO:0016020 GO:0016192 GO:0016301 GO:0016310 GO:0016324 GO:0016477 GO:0016740 GO:0018105 GO:0019904 GO:0031252 GO:0032869 GO:0034351 GO:0034613 GO:0035089 GO:0035556 GO:0042462 GO:0043066 GO:0043220 GO:0043234 GO:0043434 GO:0043524 GO:0045171 GO:0045177 GO:0045197 GO:0045216 GO:0046326 GO:0046872 GO:0046903 GO:0048194 GO:0051092 GO:0060252 GO:0061024 GO:0070062 GO:0070555 GO:0070830 GO:0090004 GO:2000353
170.060.2627.100.050.452fo0A GO:0000166 GO:0000287 GO:0001922 GO:0001934 GO:0002322 GO:0002333 GO:0003677 GO:0003785 GO:0004515 GO:0004672 GO:0004713 GO:0004715 GO:0005080 GO:0005102 GO:0005524 GO:0005634 GO:0005654 GO:0005730 GO:0005737 GO:0005739 GO:0005829 GO:0005856 GO:0006281 GO:0006298 GO:0006355 GO:0006464 GO:0006468 GO:0006897 GO:0006909 GO:0006914 GO:0006915 GO:0006974 GO:0006975 GO:0006979 GO:0007050 GO:0007067 GO:0007155 GO:0007173 GO:0007204 GO:0008022 GO:0008630 GO:0010506 GO:0015629 GO:0016020 GO:0016301 GO:0016310 GO:0016740 GO:0017124 GO:0018108 GO:0019904 GO:0019905 GO:0021587 GO:0022408 GO:0030035 GO:0030036 GO:0030100 GO:0030145 GO:0030155 GO:0030514 GO:0030516 GO:0031113 GO:0031234 GO:0031252 GO:0031965 GO:0032956 GO:0033690 GO:0034446 GO:0034599 GO:0035791 GO:0038083 GO:0038096 GO:0042100 GO:0042127 GO:0042770 GO:0043065 GO:0043123 GO:0043124 GO:0045087 GO:0045184 GO:0045930 GO:0045931 GO:0046632 GO:0046777 GO:0046872 GO:0048008 GO:0048471 GO:0048536 GO:0048538 GO:0048668 GO:0050731 GO:0050798 GO:0050853 GO:0050885 GO:0051015 GO:0051019 GO:0051149 GO:0051281 GO:0051353 GO:0051444 GO:0051726 GO:0051882 GO:0060020 GO:0070064 GO:0070301 GO:0070373 GO:0070374 GO:0071222 GO:0071901 GO:0090135 GO:1900042 GO:1900275 GO:1901216 GO:1902715 GO:1903053 GO:1903351 GO:1904528 GO:1904531 GO:1990051 GO:2000096 GO:2000145 GO:2000249 GO:2000352 GO:2000772 GO:2000773 GO:2001020
180.060.2537.610.040.464fl2A GO:0000166 GO:0000187 GO:0001525 GO:0001820 GO:0001945 GO:0002092 GO:0002223 GO:0002250 GO:0002281 GO:0002283 GO:0002366 GO:0002376 GO:0002554 GO:0004672 GO:0004674 GO:0004713 GO:0004715 GO:0004716 GO:0005178 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0005886 GO:0006468 GO:0006954 GO:0007159 GO:0007166 GO:0007167 GO:0007169 GO:0007229 GO:0007257 GO:0008283 GO:0009887 GO:0010543 GO:0010803 GO:0016020 GO:0016032 GO:0016301 GO:0016310 GO:0016740 GO:0018105 GO:0018108 GO:0019370 GO:0019815 GO:0019901 GO:0030168 GO:0030593 GO:0031234 GO:0031623 GO:0032009 GO:0032481 GO:0032928 GO:0033630 GO:0035556 GO:0038083 GO:0038095 GO:0038096 GO:0042101 GO:0042742 GO:0042991 GO:0043234 GO:0043306 GO:0043313 GO:0043366 GO:0045087 GO:0045401 GO:0045425 GO:0045579 GO:0045588 GO:0045780 GO:0046638 GO:0046641 GO:0046777 GO:0048514 GO:0050715 GO:0050731 GO:0050764 GO:0050850 GO:0050853 GO:0051090 GO:0070372 GO:0071226 GO:0071404 GO:0090237 GO:0090330


Consensus prediction of GO terms
 
Molecular Function GO:0046872 GO:0004427 GO:0009678
GO-Score 0.06 0.06 0.06
Biological Processes GO:0009405
GO-Score 0.32
Cellular Component GO:0044464
GO-Score 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.