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I-TASSER results for job id Rv1572c

[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
10.11 24 3ls1A ZN Rep, Mult 8,29
20.10 26 4rebH NUC Rep, Mult 18,21
30.09 22 3iovB CA Rep, Mult 27,28
40.06 15 3ae1C HEM Rep, Mult 12,13,25,26,29,32
50.06 14 4eyeB IOD Rep, Mult 20,21,24
60.04 9 2d3iA BCT Rep, Mult 9,12,13,14,15
70.04 12 1lnlB CU Rep, Mult 8,17,18
80.03 9 1xvfD 3CL Rep, Mult 23,24,27
90.03 8 4xwtB MN Rep, Mult 10,11
100.02 5 4p1eA IOD Rep, Mult 16,22,25
110.02 6 2eulA ZN Rep, Mult 29,33
120.01 3 2jsdA CA Rep, Mult 8,9,11,13,29,32
130.01 4 3hq8A UUU Rep, Mult 1,2,3,6,8,21,31,32,33,34
140.00 1 1c68A XE Rep, Mult 6,10,28

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
10.0601it4A0.5262.300.0310.9413.1.1.4NA
20.0601mroB0.5232.290.0310.9412.8.4.117
30.0601q0mD0.5352.120.0630.9411.15.1.18
40.0603ckeD0.4212.860.0000.9714.2.3.9NA
50.0602h89C0.5252.550.0300.9711.3.5.18
60.0601iru20.5152.200.0000.9713.4.25.1NA
70.0603i3wA0.5841.510.0630.9415.4.2.10NA
80.0602pahA0.4202.430.0670.8531.14.16.18
90.0602f9qA0.5412.410.0650.9121.14.14.116,28
100.0601t3dA0.5742.440.0000.8822.3.1.302
110.0601fazA0.5262.210.0650.9123.1.1.4NA
120.0601bgvA0.5012.420.0320.9121.4.1.227
130.0603c6gB0.5372.230.0320.9121.14.13.1519,22
140.0602oa6D0.5222.180.1250.9414.2.3.9NA
150.0603g4xA0.5362.080.0970.9121.15.1.18
160.0602qb7A0.6092.000.0610.9713.6.1.11NA
170.0603gnnB0.5162.310.1250.9122.4.2.1929
180.0603dbaB0.5152.660.0291.0003.1.4.3530
190.0602hivA0.5442.260.0650.9126.5.1.1NA

(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
00.070.5642.310.090.975e84A GO:0000166 GO:0001948 GO:0005509 GO:0005524 GO:0005634 GO:0005737 GO:0005739 GO:0005783 GO:0005788 GO:0005789 GO:0005790 GO:0005793 GO:0005886 GO:0005913 GO:0005925 GO:0006983 GO:0006987 GO:0008180 GO:0009986 GO:0016020 GO:0016887 GO:0019899 GO:0019904 GO:0021589 GO:0021680 GO:0021762 GO:0030176 GO:0030335 GO:0030433 GO:0030496 GO:0030512 GO:0030968 GO:0031012 GO:0031398 GO:0031625 GO:0034663 GO:0034975 GO:0034976 GO:0035437 GO:0036498 GO:0036499 GO:0036500 GO:0042149 GO:0042470 GO:0043022 GO:0043066 GO:0043209 GO:0051082 GO:0051087 GO:0051603 GO:0051787 GO:0060904 GO:0070062 GO:0071236 GO:0071287 GO:0071353 GO:0090074 GO:0098609 GO:0098641 GO:1901998 GO:1903891 GO:1903894 GO:1903897 GO:1990440
10.070.6092.010.060.972qb6A GO:0004309 GO:0005737 GO:0005759 GO:0005829 GO:0005886 GO:0006798 GO:0016462 GO:0016787 GO:0046872
20.070.5831.980.000.941jx1A GO:0009813 GO:0016853 GO:0016872 GO:0045430
30.070.5972.260.120.974po2A GO:0000151 GO:0000166 GO:0001618 GO:0001664 GO:0005102 GO:0005524 GO:0005654 GO:0005737 GO:0005814 GO:0005829 GO:0005925 GO:0010628 GO:0010941 GO:0016234 GO:0016887 GO:0019899 GO:0031072 GO:0031396 GO:0031397 GO:0031625 GO:0032757 GO:0034599 GO:0034605 GO:0042026 GO:0042623 GO:0042826 GO:0044183 GO:0046034 GO:0046718 GO:0048471 GO:0050821 GO:0051082 GO:0051092 GO:0055131 GO:0060548 GO:0070370 GO:0070434 GO:0072562 GO:0090084 GO:1900034 GO:1903265 GO:2001240
40.070.4781.900.070.822cueA GO:0000122 GO:0000132 GO:0000790 GO:0000978 GO:0000979 GO:0000981 GO:0001077 GO:0001227 GO:0001228 GO:0001568 GO:0001654 GO:0001709 GO:0001764 GO:0001933 GO:0002052 GO:0002088 GO:0003309 GO:0003322 GO:0003677 GO:0003682 GO:0003700 GO:0004842 GO:0005622 GO:0005634 GO:0005654 GO:0005737 GO:0006351 GO:0006355 GO:0006357 GO:0006366 GO:0007224 GO:0007275 GO:0007409 GO:0007411 GO:0007417 GO:0007420 GO:0007435 GO:0007601 GO:0008134 GO:0008285 GO:0009611 GO:0009786 GO:0009887 GO:0009950 GO:0009952 GO:0009953 GO:0010468 GO:0010628 GO:0016567 GO:0019901 GO:0021543 GO:0021778 GO:0021796 GO:0021797 GO:0021798 GO:0021902 GO:0021905 GO:0021912 GO:0021913 GO:0021918 GO:0021978 GO:0021983 GO:0023019 GO:0030154 GO:0030216 GO:0030334 GO:0030858 GO:0030900 GO:0031625 GO:0032808 GO:0033365 GO:0035035 GO:0042462 GO:0042593 GO:0043010 GO:0043565 GO:0044212 GO:0045165 GO:0045665 GO:0045893 GO:0045944 GO:0048505 GO:0048596 GO:0048663 GO:0048708 GO:0050680 GO:0050767 GO:0050768 GO:0060041 GO:0061072 GO:0061303 GO:0070410 GO:0070412 GO:0071837 GO:2000178
50.070.6372.230.030.974dokA GO:0009813 GO:0016853 GO:0016872 GO:0045430 GO:0080167
60.070.4442.860.120.942enxA GO:0004427 GO:0005737 GO:0016462 GO:0016787 GO:0030145 GO:0046872
70.070.4852.410.030.944b9qA GO:0000166 GO:0005524 GO:0005737 GO:0005829 GO:0005886 GO:0006260 GO:0006457 GO:0006461 GO:0008270 GO:0009408 GO:0016020 GO:0016989 GO:0034620 GO:0043241 GO:0043531 GO:0044183 GO:0051082 GO:0051085 GO:0070389 GO:1903506
80.070.3542.950.030.914ek2A GO:0000166 GO:0004550 GO:0005524 GO:0005737 GO:0006165 GO:0006183 GO:0006228 GO:0006241 GO:0009117 GO:0016301 GO:0016310 GO:0016740 GO:0046872
90.070.3913.170.070.823vgvN GO:0000166 GO:0004550 GO:0005524 GO:0005737 GO:0006165 GO:0006183 GO:0006228 GO:0006241 GO:0009117 GO:0016301 GO:0016310 GO:0016740 GO:0046872
100.070.4622.650.000.882dgxA GO:0000166 GO:0003676 GO:0003723 GO:0005777 GO:0006302 GO:0007143 GO:0010468 GO:0010923 GO:0016020 GO:0030154 GO:0048477 GO:0051321
110.070.4332.420.030.821yuwA GO:0000151 GO:0000166 GO:0000974 GO:0001664 GO:0001786 GO:0005524 GO:0005615 GO:0005622 GO:0005634 GO:0005681 GO:0005730 GO:0005737 GO:0005770 GO:0005829 GO:0005886 GO:0005925 GO:0006351 GO:0006355 GO:0006397 GO:0006457 GO:0008380 GO:0016020 GO:0016887 GO:0019899 GO:0023026 GO:0030529 GO:0031072 GO:0031625 GO:0031647 GO:0042026 GO:0042470 GO:0042623 GO:0043209 GO:0044822 GO:0045892 GO:0046034 GO:0048026 GO:0051082 GO:0051085 GO:0051726 GO:0055131 GO:0061738 GO:0070062 GO:0072318 GO:0072562 GO:1902904
120.070.4353.080.091.001u00A GO:0000166 GO:0005524 GO:0005829 GO:0006457 GO:0016226 GO:0016887 GO:0043531 GO:0051082 GO:0070417 GO:0097428 GO:1990230
130.070.4532.470.100.854aniC GO:0000166 GO:0005524 GO:0006457 GO:0051082
140.070.4093.320.030.913g4oB GO:0005576 GO:0009405 GO:0016020 GO:0016021 GO:0020002 GO:0033644
150.070.4262.540.030.972i8eA GO:0004518 GO:0004519 GO:0004521 GO:0016787 GO:0043571 GO:0046872 GO:0051607 GO:0090305 GO:0090502
160.060.4912.110.000.944doiA GO:0005634 GO:0005783 GO:0009411 GO:0009705 GO:0009733 GO:0009813 GO:0010224 GO:0016853 GO:0016872 GO:0042406 GO:0045430 GO:0080167
170.060.4352.540.090.941ud0C GO:0000082 GO:0000166 GO:0000974 GO:0001822 GO:0001916 GO:0001917 GO:0003723 GO:0005102 GO:0005524 GO:0005634 GO:0005681 GO:0005730 GO:0005737 GO:0005764 GO:0005765 GO:0005776 GO:0005829 GO:0005874 GO:0005882 GO:0005886 GO:0006351 GO:0006355 GO:0006397 GO:0006606 GO:0007519 GO:0007568 GO:0007608 GO:0008021 GO:0008088 GO:0008134 GO:0008380 GO:0009408 GO:0009986 GO:0010045 GO:0010628 GO:0010667 GO:0014069 GO:0014823 GO:0016020 GO:0016887 GO:0019899 GO:0021549 GO:0030424 GO:0030425 GO:0030529 GO:0030900 GO:0031686 GO:0032279 GO:0032355 GO:0032570 GO:0034605 GO:0042026 GO:0042277 GO:0042470 GO:0042493 GO:0042594 GO:0042623 GO:0043005 GO:0043025 GO:0043085 GO:0043195 GO:0043197 GO:0043198 GO:0043204 GO:0043234 GO:0043531 GO:0043624 GO:0044743 GO:0044849 GO:0045121 GO:0045471 GO:0045862 GO:0045892 GO:0046777 GO:0048471 GO:0050766 GO:0051082 GO:0051085 GO:0061077 GO:0061635 GO:0061684 GO:0061741 GO:0070062 GO:0071276 GO:0072318 GO:0097214 GO:1903206 GO:1904592 GO:1904593 GO:1904764 GO:1990124 GO:1990832 GO:1990833 GO:1990834 GO:1990836
180.060.5452.360.090.974kbqC GO:0000151 GO:0000166 GO:0000398 GO:0000974 GO:0001664 GO:0001786 GO:0005524 GO:0005615 GO:0005622 GO:0005634 GO:0005654 GO:0005681 GO:0005730 GO:0005737 GO:0005765 GO:0005770 GO:0005829 GO:0005886 GO:0005913 GO:0005925 GO:0006351 GO:0006355 GO:0006397 GO:0006457 GO:0006622 GO:0006986 GO:0007269 GO:0008380 GO:0009267 GO:0016020 GO:0016032 GO:0016887 GO:0019899 GO:0023026 GO:0030529 GO:0031012 GO:0031072 GO:0031625 GO:0031647 GO:0042026 GO:0042470 GO:0042623 GO:0043202 GO:0043209 GO:0043254 GO:0043488 GO:0044822 GO:0045892 GO:0046034 GO:0048026 GO:0051082 GO:0051085 GO:0051726 GO:0055131 GO:0061202 GO:0061635 GO:0061684 GO:0061738 GO:0061740 GO:0061741 GO:0070062 GO:0072318 GO:0072562 GO:0098575 GO:0098609 GO:0098641 GO:0098793 GO:1900034 GO:1902904 GO:1904589 GO:1904764


Consensus prediction of GO terms		 
Molecular Function GO:0044389
GO-Score 0.37
Biological Processes GO:0060904 GO:0006983 GO:0021589 GO:0071236 GO:1903897 GO:0071353 GO:0071287 GO:0030433 GO:0098609 GO:0030335 GO:1903894 GO:0030512 GO:0090074 GO:0021762 GO:1901998 GO:1903891 GO:0021680 GO:0035437 GO:0042149 GO:0031398 GO:0006987 GO:1990440 GO:0061072 GO:0048708 GO:0021778 GO:0007411 GO:0042026 GO:0023019 GO:0001568 GO:0070434 GO:0002088 GO:0009786 GO:0009950 GO:0061303 GO:0007224 GO:0021912 GO:0006798 GO:0042593 GO:0030216 GO:2001240 GO:0048505 GO:0042462 GO:0007435 GO:0034599 GO:0000122 GO:0003309 GO:0000132 GO:0050821 GO:0021798 GO:0045665 GO:0021918 GO:1900034 GO:0032808 GO:0021913 GO:0030858 GO:0021983 GO:0050680 GO:0001933 GO:0046718 GO:0090084 GO:0021796 GO:0060041 GO:0032757 GO:0009813 GO:0001709 GO:0001764 GO:0031397 GO:1903265 GO:0051092 GO:0021797 GO:0002052 GO:0021905 GO:0003322 GO:2000178 GO:0021902 GO:0009611 GO:0048596 GO:0007601 GO:0070370 GO:0046034
GO-Score 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07
Cellular Component GO:0044424
GO-Score 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.