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I-TASSER results for job id Rv0942

[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
10.06 4 2vtlA LZ5 Rep, Mult 24,28,29,30,31,40
20.06 4 3mkzA CA Rep, Mult 15,18
30.05 3 3b04D MG Rep, Mult 75,78
40.05 3 4ihhC III Rep, Mult 11,12,16,17
50.03 2 2uzlA C94 Rep, Mult 42,43,44,45,46,47,56
60.03 2 2wipA P49 Rep, Mult 30,44,49,53,54
70.03 2 2cjmA PTR Rep, Mult 6,7,30,31,38,40
80.03 2 2fbbA NA Rep, Mult 16,19,20
90.03 2 1pxkA CK3 Rep, Mult 24,25,26,28,45
100.02 1 3hf3B SO4 Rep, Mult 65,66,71
110.02 1 3d1lA MPR Rep, Mult 48,67
120.02 1 1dnwA SCN Rep, Mult 73,75
130.02 1 1y7oA CA Rep, Mult 17,18,20,22,24
140.02 1 3ej1C 5BP Rep, Mult 18,45,46,76
150.02 1 2d69B SO4 Rep, Mult 43,66,91
160.02 1 3qhwA III Rep, Mult 5,6,31,37,44,52,54,55,56
170.02 1 3pyrX MG Rep, Mult 11,12

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
10.0602wzjD0.4474.710.0240.9132.7.11.1NA
20.0601v0bB0.4664.310.0500.8702.7.1.-NA
30.0603kzwA0.4544.240.0570.8593.4.11.1NA
40.0601fpsA0.4653.850.0450.8262.5.1.1,2.5.1.10NA
50.0602hakE0.4724.780.0580.9132.7.11.1NA
60.0603gqiA0.4434.570.0610.8482.7.10.135
70.0602ewaA0.3185.010.0370.6962.7.11.24,2.7.1.37NA
80.0602ozoA0.4554.290.0510.8482.7.10.2NA
90.0601iwpA0.4414.300.0910.8044.2.1.30NA
100.0601ua2A0.4584.640.0590.9242.7.11.22,2.7.11.23NA
110.0601bljA0.2874.870.1270.6202.7.10.2NA
120.0603is5D0.3455.010.0400.7282.7.11.1740
130.0601dioA0.3724.700.0450.7504.2.1.28NA
140.0602jbwD0.3424.190.0000.6413.7.1.-NA
150.0602hakB0.3185.410.0490.7282.7.11.135
160.0603clyA0.4414.470.0750.8592.7.10.131
170.0601b8fA0.4453.880.0530.7834.3.1.3NA
180.0602zvaA0.4604.590.0720.8912.7.10.2NA
190.0603ej6A0.4564.140.0740.8151.11.1.663

(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
00.070.5004.140.050.914gcjA GO:0000082 GO:0000086 GO:0000166 GO:0000307 GO:0000781 GO:0000793 GO:0000805 GO:0000806 GO:0002088 GO:0004672 GO:0004674 GO:0004693 GO:0005524 GO:0005634 GO:0005654 GO:0005667 GO:0005737 GO:0005768 GO:0005813 GO:0005815 GO:0005829 GO:0005856 GO:0006260 GO:0006281 GO:0006468 GO:0006813 GO:0006974 GO:0006977 GO:0007049 GO:0007067 GO:0007099 GO:0007126 GO:0007265 GO:0008284 GO:0009636 GO:0015030 GO:0016301 GO:0016310 GO:0016572 GO:0016740 GO:0018105 GO:0030332 GO:0031100 GO:0031571 GO:0032298 GO:0032355 GO:0032403 GO:0032869 GO:0035173 GO:0042493 GO:0043231 GO:0045471 GO:0045893 GO:0046686 GO:0046872 GO:0051298 GO:0051301 GO:0051321 GO:0051436 GO:0051439 GO:0051591 GO:0051602 GO:0051726 GO:0060968 GO:0071732 GO:1901796
10.070.4484.480.050.894cztD GO:0000166 GO:0004672 GO:0004674 GO:0005267 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0005886 GO:0006468 GO:0006810 GO:0006811 GO:0006813 GO:0007165 GO:0007584 GO:0009414 GO:0009536 GO:0010107 GO:0010118 GO:0016020 GO:0016301 GO:0016310 GO:0016740 GO:0035556 GO:0071805
20.070.4614.190.050.874l00B GO:0000165 GO:0000166 GO:0004672 GO:0004713 GO:0004715 GO:0005088 GO:0005102 GO:0005131 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0005856 GO:0005925 GO:0006468 GO:0007169 GO:0012505 GO:0016020 GO:0016301 GO:0016310 GO:0016477 GO:0016740 GO:0019903 GO:0030154 GO:0031234 GO:0031625 GO:0031730 GO:0035556 GO:0038083 GO:0038110 GO:0042127 GO:0043547 GO:0045087 GO:0046677 GO:0046777 GO:0046872 GO:0060333 GO:0060334 GO:0060337 GO:0060338 GO:1903672
30.070.4884.460.050.922w96B GO:0000082 GO:0000166 GO:0000307 GO:0000785 GO:0002088 GO:0004672 GO:0004674 GO:0004693 GO:0005524 GO:0005634 GO:0005654 GO:0005667 GO:0005730 GO:0005737 GO:0005829 GO:0005923 GO:0006468 GO:0007049 GO:0007165 GO:0007623 GO:0008284 GO:0009636 GO:0010033 GO:0010288 GO:0010468 GO:0010971 GO:0016020 GO:0016301 GO:0016310 GO:0016538 GO:0016740 GO:0030332 GO:0031100 GO:0031965 GO:0032403 GO:0033574 GO:0042127 GO:0042493 GO:0043065 GO:0045727 GO:0045787 GO:0045793 GO:0045859 GO:0048146 GO:0048471 GO:0051301 GO:0051726 GO:0055093 GO:0071157
40.070.5014.450.020.951v0bA GO:0000166 GO:0004672 GO:0004674 GO:0004693 GO:0005524 GO:0005737 GO:0006468 GO:0008353 GO:0016301 GO:0016310 GO:0016740 GO:0051726
50.070.3914.440.100.713dkcA GO:0000166 GO:0001886 GO:0004672 GO:0004713 GO:0004714 GO:0005008 GO:0005524 GO:0005576 GO:0005886 GO:0005887 GO:0006468 GO:0007165 GO:0007166 GO:0007169 GO:0008283 GO:0009925 GO:0009986 GO:0010507 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0018108 GO:0019903 GO:0045944 GO:0048012 GO:0048754 GO:0050918 GO:0071526 GO:1901299 GO:2001028
60.070.4444.640.060.894uy9B GO:0000166 GO:0000186 GO:0004672 GO:0004674 GO:0004706 GO:0004708 GO:0004709 GO:0005524 GO:0005622 GO:0006351 GO:0006355 GO:0006468 GO:0006915 GO:0007256 GO:0007257 GO:0008219 GO:0016301 GO:0016310 GO:0016740 GO:0042803 GO:0043065 GO:0046777
70.070.4504.450.020.914eheB GO:0000165 GO:0000166 GO:0000186 GO:0002318 GO:0004672 GO:0004674 GO:0004709 GO:0005057 GO:0005509 GO:0005524 GO:0005634 GO:0005737 GO:0005739 GO:0005829 GO:0005886 GO:0006468 GO:0007165 GO:0008542 GO:0009887 GO:0010628 GO:0010764 GO:0015758 GO:0016020 GO:0016301 GO:0016310 GO:0016740 GO:0030154 GO:0030878 GO:0031267 GO:0031434 GO:0033138 GO:0035019 GO:0035556 GO:0035690 GO:0042127 GO:0042802 GO:0043005 GO:0043066 GO:0043231 GO:0043367 GO:0043368 GO:0043434 GO:0043524 GO:0044297 GO:0046632 GO:0046872 GO:0046982 GO:0048538 GO:0048679 GO:0048680 GO:0050772 GO:0051291 GO:0051496 GO:0051591 GO:0060291 GO:0060323 GO:0060324 GO:0070374 GO:0071277 GO:0090150 GO:1900026 GO:2000301 GO:2000352
80.070.4434.470.050.864yc3A GO:0000082 GO:0000083 GO:0000086 GO:0000166 GO:0000187 GO:0000226 GO:0000278 GO:0000784 GO:0004672 GO:0004674 GO:0004693 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005813 GO:0005815 GO:0005819 GO:0005829 GO:0005856 GO:0005876 GO:0006260 GO:0006281 GO:0006461 GO:0006468 GO:0006915 GO:0006977 GO:0007049 GO:0007067 GO:0007077 GO:0007095 GO:0007098 GO:0007344 GO:0007569 GO:0008353 GO:0009636 GO:0010243 GO:0010628 GO:0014038 GO:0014070 GO:0014075 GO:0014823 GO:0016020 GO:0016301 GO:0016310 GO:0016477 GO:0016572 GO:0016740 GO:0018105 GO:0018107 GO:0030261 GO:0030332 GO:0030496 GO:0030544 GO:0030855 GO:0031100 GO:0031145 GO:0033160 GO:0034501 GO:0035173 GO:0042493 GO:0042542 GO:0042787 GO:0043066 GO:0043161 GO:0045471 GO:0045740 GO:0045931 GO:0045995 GO:0046686 GO:0046688 GO:0048678 GO:0051301 GO:0051436 GO:0051437 GO:0051439 GO:0055015 GO:0060045 GO:0070062 GO:0070301 GO:0072686 GO:0090166 GO:1900182
90.070.3534.870.040.724f9bA GO:0000082 GO:0000166 GO:0000727 GO:0004672 GO:0004674 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0006260 GO:0006270 GO:0006468 GO:0006909 GO:0007049 GO:0008284 GO:0008360 GO:0010571 GO:0010971 GO:0015630 GO:0016301 GO:0016310 GO:0016740 GO:0018105 GO:0044770 GO:0045171 GO:0046872 GO:0051301
100.070.4694.350.050.914ih8A GO:0000166 GO:0004672 GO:0004674 GO:0005509 GO:0005524 GO:0006468 GO:0016301 GO:0016310 GO:0046872
110.070.4724.780.060.912hakE GO:0000166 GO:0000287 GO:0001764 GO:0001786 GO:0004672 GO:0004674 GO:0005524 GO:0005546 GO:0005737 GO:0005856 GO:0005886 GO:0006468 GO:0007010 GO:0008289 GO:0015630 GO:0016020 GO:0016055 GO:0016301 GO:0016310 GO:0016740 GO:0035556 GO:0046872 GO:0050321 GO:0070300
120.070.4534.590.050.894c0tA GO:0000166 GO:0004672 GO:0004674 GO:0005524 GO:0005634 GO:0005737 GO:0005938 GO:0006468 GO:0006897 GO:0008289 GO:0016301 GO:0016310 GO:0016740
130.070.4314.770.020.914y5qA GO:0000166 GO:0004672 GO:0004674 GO:0005509 GO:0005524 GO:0006468 GO:0016301 GO:0016310 GO:0046872
140.070.4504.500.040.894lgdA GO:0000166 GO:0000287 GO:0001841 GO:0003157 GO:0004672 GO:0004674 GO:0004702 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0006468 GO:0006915 GO:0007165 GO:0007417 GO:0008285 GO:0016301 GO:0016310 GO:0016740 GO:0023014 GO:0032092 GO:0035329 GO:0035556 GO:0043065 GO:0043234 GO:0043539 GO:0045600 GO:0046330 GO:0046621 GO:0046872 GO:0046983 GO:0050821 GO:0051091 GO:0051897 GO:0060215 GO:0060706 GO:0060800 GO:0071902 GO:0090090 GO:0097284 GO:1902043
150.070.4294.650.070.881zxeC GO:0000049 GO:0000077 GO:0000166 GO:0001300 GO:0003723 GO:0003725 GO:0004672 GO:0004674 GO:0004694 GO:0005524 GO:0005737 GO:0006412 GO:0006417 GO:0006446 GO:0006468 GO:0010942 GO:0010998 GO:0015934 GO:0015935 GO:0016301 GO:0016310 GO:0016740 GO:0022626 GO:0031369 GO:0034198 GO:0042788 GO:0042803 GO:0043022 GO:0043023 GO:0043621 GO:0046777 GO:0060733 GO:0070301 GO:0071232 GO:0071264 GO:0072755 GO:1903833 GO:1990451
160.070.4694.370.060.893w32A GO:0000139 GO:0000165 GO:0000166 GO:0000186 GO:0000902 GO:0001503 GO:0001892 GO:0001934 GO:0001942 GO:0003682 GO:0003690 GO:0004672 GO:0004709 GO:0004713 GO:0004714 GO:0004716 GO:0004871 GO:0004888 GO:0005006 GO:0005088 GO:0005524 GO:0005576 GO:0005615 GO:0005622 GO:0005634 GO:0005737 GO:0005768 GO:0005783 GO:0005789 GO:0005794 GO:0005886 GO:0005913 GO:0005925 GO:0006468 GO:0006950 GO:0007165 GO:0007166 GO:0007169 GO:0007173 GO:0007202 GO:0007275 GO:0007435 GO:0007611 GO:0008283 GO:0008284 GO:0008544 GO:0009986 GO:0010008 GO:0014066 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016323 GO:0016337 GO:0016740 GO:0018108 GO:0019899 GO:0019903 GO:0021795 GO:0030122 GO:0030139 GO:0030235 GO:0030307 GO:0030335 GO:0031625 GO:0031659 GO:0031901 GO:0031965 GO:0035413 GO:0038128 GO:0042059 GO:0042127 GO:0042177 GO:0042327 GO:0042802 GO:0043006 GO:0043066 GO:0043235 GO:0043406 GO:0043547 GO:0045121 GO:0045429 GO:0045739 GO:0045740 GO:0045944 GO:0046777 GO:0046854 GO:0046934 GO:0046982 GO:0048015 GO:0048146 GO:0048471 GO:0048546 GO:0050679 GO:0050730 GO:0050999 GO:0051015 GO:0051205 GO:0051897 GO:0060571 GO:0061029 GO:0070141 GO:0070374 GO:0070435 GO:0071230 GO:0071364 GO:0071392 GO:0097489 GO:0098641 GO:1903800 GO:2000145
170.070.4394.360.040.855hesA GO:0000075 GO:0000077 GO:0000166 GO:0000186 GO:0000287 GO:0004672 GO:0004674 GO:0004709 GO:0005524 GO:0005634 GO:0005737 GO:0006468 GO:0006950 GO:0007010 GO:0007049 GO:0007050 GO:0007257 GO:0008219 GO:0008283 GO:0009314 GO:0016301 GO:0016310 GO:0016740 GO:0030154 GO:0035556 GO:0043065 GO:0044822 GO:0046872
180.070.4414.720.020.884qrcA GO:0000165 GO:0000166 GO:0004672 GO:0004713 GO:0004714 GO:0005007 GO:0005088 GO:0005524 GO:0005576 GO:0005654 GO:0005737 GO:0005768 GO:0005783 GO:0005794 GO:0005886 GO:0005887 GO:0005911 GO:0006468 GO:0008201 GO:0008284 GO:0008543 GO:0010628 GO:0010715 GO:0014066 GO:0016020 GO:0016021 GO:0016301 GO:0016303 GO:0016310 GO:0016477 GO:0016740 GO:0017134 GO:0018108 GO:0019216 GO:0030133 GO:0036092 GO:0042593 GO:0043085 GO:0043547 GO:0045862 GO:0046777 GO:0046854 GO:0046934 GO:0048015 GO:0055062 GO:0070374 GO:0070857 GO:1903412 GO:2000188 GO:2000573


Consensus prediction of GO terms		 
Molecular Function GO:0035639 GO:0032550 GO:0032559 GO:0097472
GO-Score 0.58 0.58 0.58 0.37
Biological Processes GO:0006464 GO:0016310 GO:0050794 GO:0007049
GO-Score 0.58 0.58 0.37 0.37
Cellular Component GO:0043231 GO:0044444
GO-Score 0.48 0.48

(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.