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I-TASSER results for job id Rv1827

[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
10.66 40 3va4B III Rep, Mult 81,92,93,94,95,96,116,117,141
20.02 2 1gxcD III Rep, Mult 134,136,145,147,151
30.02 2 1g6gB III Rep, Mult 81,93,94,95,96,115,116,120,125
40.01 1 1w1xC SIA Rep, Mult 78,80,99,102,109,110,111
50.01 1 3eyxB ACT Rep, Mult 108,146
60.01 1 2pieA III Rep, Mult 81,90,92,93,95,96,116,117,154
70.01 1 3poaA ZN Rep, Mult 133,149

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
10.3121g6gA0.5122.680.2310.6172.7.11.1126,134,136
20.0601gxcA0.4932.430.2290.5932.7.11.1122,136,145
30.0603beqB0.4505.290.0730.8023.2.1.1890
40.0602jqjA0.4843.040.2050.5992.7.11.181,86,95,100,112,140
50.0602iw2A0.4025.350.0680.7533.4.13.9NA
60.0602e6kA0.3995.480.0680.7352.2.1.1NA
70.0602brfA0.4363.070.1560.5562.7.1.78,3.1.3.3280,100
80.0603ctzA0.3995.140.0780.6913.4.11.9NA
90.0603b9jI0.2414.880.0100.4011.17.1.4,1.17.3.2NA
100.0602afmA0.3935.420.0460.7162.3.2.5NA
110.0601ug9A0.4075.500.0630.7593.2.1.70NA
120.0602cmlC0.4475.510.0720.8273.2.1.18NA
130.0602zeeA0.4005.310.0630.7042.3.2.5NA
140.0601kp0A0.4065.360.0310.7783.5.3.3NA
150.0602oknA0.4045.490.0680.7653.4.13.9NA
160.0601e6yA0.4405.220.0690.7592.8.4.1100,121
170.0602jgdA0.4105.800.0390.7961.2.4.2NA
180.0601n63B0.4094.360.0210.6301.2.99.2NA
190.0601f4tA0.4005.340.0220.7101.11.1.7NA
200.0601hbmA0.4295.550.0890.7652.8.4.1NA

(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
00.720.9581.200.990.992kfuA GO:0005576 GO:0005618 GO:0005886 GO:0042802 GO:0043457 GO:0045820 GO:0046777
10.460.5273.140.580.672kb4A GO:0005737
20.370.4822.490.250.572g1lA GO:0000166 GO:0003774 GO:0003777 GO:0005524 GO:0005737 GO:0005783 GO:0005794 GO:0005856 GO:0005871 GO:0005874 GO:0006890 GO:0007018 GO:0008017 GO:0016887 GO:0030705 GO:0044822
30.300.5132.690.190.612ff4A GO:0000160 GO:0003677 GO:0003924 GO:0005618 GO:0005622 GO:0005886 GO:0006351 GO:0006355 GO:0016887
40.270.4912.280.230.573hx1B
50.260.5212.550.270.625a8iA GO:0008270
60.260.4892.650.320.592lc1A GO:0005618 GO:0005737 GO:0005829
70.250.5202.200.210.603va4A GO:0005634 GO:0005654 GO:0005694 GO:0005925 GO:0006281 GO:0006974 GO:0007049 GO:0008022 GO:0070975
80.240.4952.610.290.593gqsB GO:0016020 GO:0016021
90.240.5182.520.280.621mzkA GO:0003824 GO:0004721 GO:0004722 GO:0005886 GO:0006470 GO:0016020 GO:0016021 GO:0016787 GO:0043169 GO:0046872 GO:0050408
100.230.4722.380.180.563fm8A GO:0000166 GO:0003777 GO:0005524 GO:0005737 GO:0005829 GO:0005856 GO:0005871 GO:0005874 GO:0005902 GO:0006605 GO:0007018 GO:0007165 GO:0008017 GO:0016887 GO:0019901 GO:0030424 GO:0030705 GO:0033270 GO:0042110 GO:0042995 GO:0050770 GO:0071889
110.220.5192.300.200.613uotA GO:0005634 GO:0005654 GO:0005694 GO:0005925 GO:0006281 GO:0006303 GO:0006974 GO:0007049 GO:0008022 GO:0016925 GO:0031573 GO:0070975
120.210.5102.920.190.622cswA GO:0000151 GO:0000781 GO:0003682 GO:0004842 GO:0005634 GO:0005654 GO:0005694 GO:0005737 GO:0006281 GO:0006302 GO:0006303 GO:0006511 GO:0006974 GO:0007049 GO:0007067 GO:0007286 GO:0008270 GO:0010212 GO:0016567 GO:0016568 GO:0016874 GO:0030496 GO:0031625 GO:0033522 GO:0033523 GO:0034244 GO:0035861 GO:0036297 GO:0042393 GO:0042803 GO:0043486 GO:0045190 GO:0045739 GO:0046872 GO:0051301 GO:0051865 GO:0070534 GO:0070535 GO:0070936
130.190.4632.870.180.594a0eA GO:0016020 GO:0016021
140.180.4792.640.250.584jonB GO:0005737 GO:0005813 GO:0005814 GO:0005819 GO:0005856 GO:0005874 GO:0031965
150.170.5152.650.210.621uhtA
160.130.5163.130.210.643vpyA GO:0003723 GO:0005634 GO:0005829 GO:0008283 GO:0009507 GO:0031047 GO:0035196 GO:0048638
170.130.4882.550.210.591r21A GO:0000166 GO:0000775 GO:0000793 GO:0005524 GO:0005634 GO:0005694 GO:0005730 GO:0005737 GO:0006259 GO:0007049 GO:0007126 GO:0008022 GO:0008283 GO:0014070 GO:0016020 GO:0030212 GO:0031100 GO:0034605 GO:0044822 GO:0072574 GO:1990705
180.070.5453.700.070.744r9pA GO:0005622 GO:0005737 GO:0006031 GO:0006035 GO:0006355 GO:0007185 GO:0016020 GO:0045177 GO:0060439
190.070.5362.660.190.663i6uA GO:0000077 GO:0000086 GO:0000166 GO:0000781 GO:0001302 GO:0001934 GO:0004672 GO:0004674 GO:0005524 GO:0005634 GO:0005654 GO:0005794 GO:0006281 GO:0006302 GO:0006351 GO:0006355 GO:0006468 GO:0006915 GO:0006974 GO:0006975 GO:0006977 GO:0007049 GO:0007067 GO:0008630 GO:0010332 GO:0016301 GO:0016310 GO:0016605 GO:0016740 GO:0018105 GO:0019901 GO:0031625 GO:0035690 GO:0042176 GO:0042770 GO:0042802 GO:0042803 GO:0044257 GO:0045893 GO:0046777 GO:0046872 GO:0050821 GO:0051301 GO:0071157 GO:0072428 GO:0090307 GO:0090399 GO:1901796 GO:1902520 GO:1903926 GO:2000002 GO:2000210
200.070.4903.630.090.671mr1A GO:0000122 GO:0000790 GO:0000977 GO:0000978 GO:0000987 GO:0000988 GO:0001076 GO:0001077 GO:0001085 GO:0001228 GO:0001541 GO:0001658 GO:0001666 GO:0001701 GO:0001702 GO:0001822 GO:0003190 GO:0003198 GO:0003251 GO:0003279 GO:0003360 GO:0003677 GO:0003682 GO:0003700 GO:0005518 GO:0005622 GO:0005634 GO:0005654 GO:0005667 GO:0005737 GO:0005829 GO:0006351 GO:0006355 GO:0006357 GO:0006366 GO:0006879 GO:0007179 GO:0007183 GO:0007283 GO:0007338 GO:0007369 GO:0007411 GO:0007492 GO:0007498 GO:0008283 GO:0008285 GO:0008584 GO:0008585 GO:0009952 GO:0010718 GO:0010862 GO:0014033 GO:0017015 GO:0030308 GO:0030509 GO:0030511 GO:0030513 GO:0030616 GO:0032444 GO:0032525 GO:0032909 GO:0033686 GO:0035019 GO:0035556 GO:0036302 GO:0042118 GO:0042127 GO:0042733 GO:0042802 GO:0042803 GO:0043565 GO:0044212 GO:0045892 GO:0045893 GO:0045944 GO:0046872 GO:0046881 GO:0046982 GO:0048589 GO:0048663 GO:0048729 GO:0048733 GO:0048859 GO:0051098 GO:0051571 GO:0051797 GO:0060021 GO:0060065 GO:0060391 GO:0060395 GO:0060548 GO:0060956 GO:0061040 GO:0070102 GO:0070411 GO:0070412 GO:0071141 GO:0071559 GO:0071773 GO:0072133 GO:0072134 GO:0072520 GO:0090575 GO:1901522 GO:2000617
210.070.5013.400.090.671khxA GO:0000122 GO:0000790 GO:0000978 GO:0001077 GO:0001657 GO:0001701 GO:0001706 GO:0001707 GO:0003677 GO:0003682 GO:0003690 GO:0003700 GO:0005160 GO:0005622 GO:0005634 GO:0005654 GO:0005667 GO:0005737 GO:0005829 GO:0006351 GO:0006355 GO:0006366 GO:0006468 GO:0007179 GO:0007182 GO:0007183 GO:0007352 GO:0007369 GO:0007389 GO:0007492 GO:0007507 GO:0008134 GO:0008285 GO:0009749 GO:0009791 GO:0009880 GO:0009952 GO:0010628 GO:0010629 GO:0010718 GO:0017015 GO:0019902 GO:0023019 GO:0030073 GO:0030324 GO:0030512 GO:0030513 GO:0030618 GO:0031016 GO:0031053 GO:0031625 GO:0032444 GO:0032924 GO:0033613 GO:0034713 GO:0035019 GO:0035265 GO:0035326 GO:0035556 GO:0038092 GO:0042803 GO:0043234 GO:0045165 GO:0045892 GO:0045893 GO:0045944 GO:0046332 GO:0046872 GO:0046982 GO:0048340 GO:0048589 GO:0048617 GO:0048701 GO:0051098 GO:0060021 GO:0060039 GO:0060395 GO:0070410 GO:0070411 GO:0070412 GO:0070723 GO:0071141 GO:0071144 GO:1900224
220.070.4953.690.070.691dd1B GO:0000122 GO:0000790 GO:0000977 GO:0000978 GO:0000987 GO:0000988 GO:0001076 GO:0001077 GO:0001085 GO:0001228 GO:0001541 GO:0001658 GO:0001666 GO:0001701 GO:0001702 GO:0001822 GO:0003190 GO:0003198 GO:0003251 GO:0003279 GO:0003360 GO:0003677 GO:0003682 GO:0003700 GO:0005518 GO:0005622 GO:0005634 GO:0005654 GO:0005667 GO:0005737 GO:0005829 GO:0006351 GO:0006355 GO:0006357 GO:0006366 GO:0006879 GO:0007179 GO:0007183 GO:0007283 GO:0007338 GO:0007369 GO:0007411 GO:0007492 GO:0007498 GO:0008283 GO:0008285 GO:0008584 GO:0008585 GO:0009952 GO:0010718 GO:0010862 GO:0014033 GO:0017015 GO:0030308 GO:0030509 GO:0030511 GO:0030513 GO:0030616 GO:0032444 GO:0032525 GO:0032909 GO:0033686 GO:0035019 GO:0035556 GO:0036302 GO:0042118 GO:0042127 GO:0042733 GO:0042802 GO:0042803 GO:0043565 GO:0044212 GO:0045892 GO:0045893 GO:0045944 GO:0046872 GO:0046881 GO:0046982 GO:0048589 GO:0048663 GO:0048729 GO:0048733 GO:0048859 GO:0051098 GO:0051571 GO:0051797 GO:0060021 GO:0060065 GO:0060391 GO:0060395 GO:0060548 GO:0060956 GO:0061040 GO:0070102 GO:0070411 GO:0070412 GO:0071141 GO:0071559 GO:0071773 GO:0072133 GO:0072134 GO:0072520 GO:0090575 GO:1901522 GO:2000617


Consensus prediction of GO terms
 
Molecular Function GO:0042802 GO:0016887 GO:0044822 GO:0008017 GO:0005524 GO:0003777
GO-Score 0.72 0.56 0.37 0.37 0.37 0.37
Biological Processes GO:0043457 GO:0046777 GO:0045820 GO:0035556 GO:0010468 GO:2000112 GO:1903506 GO:0006890 GO:0030705 GO:0007018
GO-Score 0.72 0.72 0.72 0.59 0.59 0.59 0.59 0.37 0.37 0.37
Cellular Component GO:0005886 GO:0005618 GO:0005576 GO:0005783 GO:0005794 GO:0005871 GO:0005874
GO-Score 0.81 0.81 0.72 0.37 0.37 0.37 0.37

(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.