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I-TASSER results for job id Rv1615

[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
10.10 5 4zzcA XE Rep, Mult 120,123,124
20.08 4 1j95A TBA Rep, Mult 100,130
30.04 2 4o6nB MPG Rep, Mult 94,124,128
40.04 2 3aodA MIY Rep, Mult 76,81,97
50.04 2 1gzmA C8E Rep, Mult 127,130
60.04 2 5ie9A MN Rep, Mult 103,106,107,122,125
70.04 2 1flcB UUU Rep, Mult 90,91,92,93
80.02 1 1iw7F MG Rep, Mult 83,120
90.02 1 2wieA CVM Rep, Mult 130,134
100.02 1 3adcA MG Rep, Mult 74,125
110.02 1 1i94D MG Rep, Mult 93,94
120.02 1 3k7tA GP7 Rep, Mult 50,51

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
10.0602b3oA0.4374.750.0730.7263.1.3.48NA
20.0601cvuA0.4225.020.0560.7601.14.99.1NA
30.0605coxA0.4285.000.0560.7531.14.99.1123
40.0601l5jA0.4345.410.0360.8434.2.1.3NA
50.0602xalA0.4384.810.0510.7532.7.1.15894
60.0602eabA0.4355.130.0620.7943.2.1.63NA
70.0601w6jA0.4305.490.0640.8155.4.99.7NA
80.0602gfiA0.4545.250.0350.8153.1.3.8NA
90.0602fhbA0.4235.230.0590.7533.2.1.41NA
100.0603hhsA0.4355.130.0280.8011.14.18.1NA
110.0601skaA0.4345.320.0830.8013.1.3.866
120.0602oknA0.4215.380.0990.7943.4.13.9NA
130.0602x38A0.4635.250.0490.8362.7.1.15391
140.0601qwoA0.4265.360.0720.8153.1.3.8NA
150.0603hfwA0.4224.470.0290.6783.2.2.19121
160.0602iw2A0.4055.210.1040.7603.4.13.9NA
170.0603d2jA0.3754.980.0150.6781.21.3.3101,103
180.0602shpA0.4414.930.0850.7603.1.3.48NA
190.0602eq9D0.4215.360.0490.7941.8.1.4107

(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
00.170.7852.340.060.921g9lA GO:0000166 GO:0000184 GO:0000289 GO:0000398 GO:0003676 GO:0003723 GO:0005634 GO:0005681 GO:0005737 GO:0005829 GO:0005925 GO:0006378 GO:0006397 GO:0006413 GO:0008022 GO:0008143 GO:0008266 GO:0008380 GO:0008494 GO:0010494 GO:0016020 GO:0030529 GO:0031047 GO:0036464 GO:0043488 GO:0044822 GO:0045070 GO:0045727 GO:0048255 GO:0060213 GO:0070062 GO:0071013 GO:1900153 GO:2000623
10.070.3844.480.020.624ajwA GO:0000166 GO:0001782 GO:0002250 GO:0002376 GO:0005524 GO:0005737 GO:0005886 GO:0005942 GO:0006935 GO:0006954 GO:0007166 GO:0010628 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0030154 GO:0030335 GO:0035005 GO:0036092 GO:0042113 GO:0045087 GO:0046854 GO:0046934 GO:0048015 GO:0048872 GO:0050832
20.060.4235.170.050.774uwhA GO:0000045 GO:0000166 GO:0000910 GO:0004672 GO:0005524 GO:0005768 GO:0005770 GO:0005776 GO:0005829 GO:0005930 GO:0005942 GO:0006468 GO:0006661 GO:0006914 GO:0007032 GO:0007049 GO:0016020 GO:0016236 GO:0016301 GO:0016303 GO:0016310 GO:0016485 GO:0016740 GO:0030496 GO:0030670 GO:0031410 GO:0032465 GO:0034162 GO:0035004 GO:0035032 GO:0036092 GO:0042149 GO:0043201 GO:0045022 GO:0045335 GO:0046854 GO:0048015 GO:0050708 GO:0051301
30.060.3985.070.040.714yknA GO:0000166 GO:0001525 GO:0001889 GO:0001944 GO:0004674 GO:0005524 GO:0005622 GO:0005829 GO:0005886 GO:0005942 GO:0005943 GO:0006006 GO:0006468 GO:0006661 GO:0006909 GO:0007173 GO:0010468 GO:0014066 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0030027 GO:0030168 GO:0030295 GO:0031295 GO:0032147 GO:0033138 GO:0035004 GO:0035005 GO:0036092 GO:0038028 GO:0038095 GO:0038096 GO:0038128 GO:0040014 GO:0043457 GO:0043491 GO:0043524 GO:0043542 GO:0043560 GO:0044029 GO:0046854 GO:0046934 GO:0048010 GO:0048015 GO:0050852 GO:0050900 GO:0060048 GO:0060612 GO:0071333 GO:0097009 GO:0098779 GO:2000270 GO:2000653 GO:2000811
40.060.3954.370.040.625dfzC GO:0000166 GO:0000329 GO:0000407 GO:0004672 GO:0005524 GO:0005643 GO:0005768 GO:0005777 GO:0005794 GO:0006468 GO:0006810 GO:0006914 GO:0010008 GO:0015031 GO:0016020 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0030242 GO:0032968 GO:0034271 GO:0034272 GO:0036092 GO:0046854 GO:0048015 GO:0071561
50.060.3864.620.020.634ajwB GO:0000166 GO:0001782 GO:0002250 GO:0002376 GO:0005524 GO:0005737 GO:0005886 GO:0005942 GO:0006935 GO:0006954 GO:0007166 GO:0010628 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0030154 GO:0030335 GO:0035005 GO:0036092 GO:0042113 GO:0045087 GO:0046854 GO:0046934 GO:0048015 GO:0048872 GO:0050832
60.060.4735.040.040.864ovuA GO:0000166 GO:0001525 GO:0001889 GO:0001944 GO:0004674 GO:0005524 GO:0005622 GO:0005829 GO:0005886 GO:0005942 GO:0005943 GO:0006006 GO:0006468 GO:0006661 GO:0006909 GO:0007173 GO:0010468 GO:0014066 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0030027 GO:0030168 GO:0030295 GO:0031295 GO:0032147 GO:0033138 GO:0035004 GO:0035005 GO:0036092 GO:0038028 GO:0038095 GO:0038096 GO:0038128 GO:0040014 GO:0043457 GO:0043491 GO:0043524 GO:0043542 GO:0043560 GO:0044029 GO:0046854 GO:0046934 GO:0048010 GO:0048015 GO:0050852 GO:0050900 GO:0060048 GO:0060612 GO:0071333 GO:0097009 GO:0098779 GO:2000270 GO:2000653 GO:2000811
70.060.3874.730.020.655dxhA GO:0000166 GO:0001525 GO:0001889 GO:0001944 GO:0004674 GO:0005524 GO:0005622 GO:0005829 GO:0005886 GO:0005942 GO:0005943 GO:0006006 GO:0006468 GO:0006661 GO:0006909 GO:0007173 GO:0010468 GO:0014066 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0030027 GO:0030168 GO:0030295 GO:0031295 GO:0032147 GO:0033138 GO:0035004 GO:0035005 GO:0036092 GO:0038028 GO:0038095 GO:0038096 GO:0038128 GO:0040014 GO:0043457 GO:0043491 GO:0043524 GO:0043542 GO:0043560 GO:0044029 GO:0046854 GO:0046934 GO:0048010 GO:0048015 GO:0050852 GO:0050900 GO:0060048 GO:0060612 GO:0071333 GO:0097009 GO:0098779 GO:2000270 GO:2000653 GO:2000811
80.060.4245.490.040.795dxtA GO:0000166 GO:0001525 GO:0001889 GO:0001944 GO:0004674 GO:0005524 GO:0005622 GO:0005829 GO:0005886 GO:0005942 GO:0005943 GO:0006006 GO:0006468 GO:0006661 GO:0006909 GO:0007173 GO:0010468 GO:0014066 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0030027 GO:0030168 GO:0030295 GO:0031295 GO:0032147 GO:0033138 GO:0035004 GO:0035005 GO:0036092 GO:0038028 GO:0038095 GO:0038096 GO:0038128 GO:0040014 GO:0043457 GO:0043491 GO:0043524 GO:0043542 GO:0043560 GO:0044029 GO:0046854 GO:0046934 GO:0048010 GO:0048015 GO:0050852 GO:0050900 GO:0060048 GO:0060612 GO:0071333 GO:0097009 GO:0098779 GO:2000270 GO:2000653 GO:2000811
90.060.3515.720.040.694jsnB GO:0000139 GO:0000166 GO:0001030 GO:0001031 GO:0001032 GO:0001156 GO:0001933 GO:0001934 GO:0001938 GO:0003007 GO:0003179 GO:0004672 GO:0004674 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005741 GO:0005764 GO:0005765 GO:0005783 GO:0005789 GO:0005794 GO:0005829 GO:0005942 GO:0005979 GO:0006109 GO:0006112 GO:0006207 GO:0006281 GO:0006468 GO:0006950 GO:0007050 GO:0007165 GO:0007281 GO:0007420 GO:0007569 GO:0007584 GO:0007616 GO:0008542 GO:0009791 GO:0010507 GO:0010592 GO:0010628 GO:0010831 GO:0010942 GO:0010976 GO:0012505 GO:0014042 GO:0014736 GO:0016020 GO:0016049 GO:0016236 GO:0016242 GO:0016301 GO:0016310 GO:0016605 GO:0016740 GO:0018105 GO:0018107 GO:0019901 GO:0019904 GO:0021510 GO:0030030 GO:0030163 GO:0030425 GO:0030838 GO:0031090 GO:0031295 GO:0031397 GO:0031529 GO:0031641 GO:0031669 GO:0031929 GO:0031931 GO:0031932 GO:0031998 GO:0032095 GO:0032868 GO:0032956 GO:0032991 GO:0035176 GO:0035264 GO:0040007 GO:0042060 GO:0042220 GO:0043022 GO:0043025 GO:0043087 GO:0043200 GO:0043231 GO:0043278 GO:0043610 GO:0044877 GO:0045429 GO:0045670 GO:0045727 GO:0045792 GO:0045859 GO:0045945 GO:0046777 GO:0046889 GO:0048015 GO:0048255 GO:0048661 GO:0048714 GO:0048738 GO:0050731 GO:0050769 GO:0050882 GO:0051219 GO:0051496 GO:0051534 GO:0051896 GO:0051897 GO:0055006 GO:0055013 GO:0060048 GO:0060135 GO:0060252 GO:0060999 GO:0061051 GO:0071456 GO:0090335 GO:0090559 GO:1900034 GO:1901216 GO:1901838 GO:1904000 GO:1904056 GO:1904058 GO:1904193 GO:1904197 GO:1904206 GO:1904213
100.060.3645.420.060.691e7uA GO:0000166 GO:0001525 GO:0002376 GO:0004674 GO:0005524 GO:0005737 GO:0005886 GO:0005942 GO:0006468 GO:0006897 GO:0006935 GO:0006954 GO:0016020 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0035005 GO:0036092 GO:0046854 GO:0046934 GO:0048015
110.060.3904.480.020.622wxiA GO:0000166 GO:0001782 GO:0002250 GO:0002376 GO:0005524 GO:0005737 GO:0005886 GO:0005942 GO:0006935 GO:0006954 GO:0007166 GO:0010628 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0030154 GO:0030335 GO:0035005 GO:0036092 GO:0042113 GO:0045087 GO:0046854 GO:0046934 GO:0048015 GO:0048872 GO:0050832
120.060.4515.310.040.843zw3A GO:0000166 GO:0001525 GO:0001816 GO:0001932 GO:0002250 GO:0002376 GO:0002407 GO:0002675 GO:0002679 GO:0004672 GO:0004674 GO:0005524 GO:0005737 GO:0005829 GO:0005886 GO:0005942 GO:0005944 GO:0006468 GO:0006661 GO:0006897 GO:0006935 GO:0006954 GO:0007186 GO:0007204 GO:0010818 GO:0010897 GO:0014065 GO:0016020 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0030168 GO:0030593 GO:0032252 GO:0033628 GO:0035004 GO:0035005 GO:0035747 GO:0036092 GO:0042098 GO:0042110 GO:0042629 GO:0043085 GO:0043303 GO:0043406 GO:0045087 GO:0046854 GO:0046875 GO:0046934 GO:0048015 GO:0051897 GO:0055118 GO:0070527 GO:0071320 GO:0072672 GO:0097284 GO:1903169 GO:2000270
130.060.4865.060.090.882y3aA GO:0000166 GO:0001935 GO:0001952 GO:0005524 GO:0005634 GO:0005730 GO:0005737 GO:0005886 GO:0005942 GO:0006874 GO:0006897 GO:0006914 GO:0007155 GO:0007156 GO:0009611 GO:0010628 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0030168 GO:0031526 GO:0035005 GO:0036092 GO:0040016 GO:0043560 GO:0045171 GO:0046854 GO:0046934 GO:0048015 GO:0060055
140.060.3775.130.060.681e8wA GO:0000166 GO:0001525 GO:0002376 GO:0004674 GO:0005524 GO:0005737 GO:0005886 GO:0005942 GO:0006468 GO:0006897 GO:0006935 GO:0006954 GO:0016020 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0035005 GO:0036092 GO:0046854 GO:0046934 GO:0048015
150.060.3894.450.020.625ae9A GO:0000166 GO:0001782 GO:0002250 GO:0002376 GO:0005524 GO:0005737 GO:0005886 GO:0005942 GO:0006935 GO:0006954 GO:0007166 GO:0010628 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0030154 GO:0030335 GO:0035005 GO:0036092 GO:0042113 GO:0045087 GO:0046854 GO:0046934 GO:0048015 GO:0048872 GO:0050832
160.060.3774.430.050.603ihyC GO:0000045 GO:0000166 GO:0000910 GO:0004672 GO:0005524 GO:0005768 GO:0005770 GO:0005776 GO:0005829 GO:0005930 GO:0005942 GO:0006468 GO:0006661 GO:0006914 GO:0007032 GO:0007049 GO:0016020 GO:0016236 GO:0016301 GO:0016303 GO:0016310 GO:0016485 GO:0016740 GO:0030496 GO:0030670 GO:0031410 GO:0032465 GO:0034162 GO:0035004 GO:0035032 GO:0036092 GO:0042149 GO:0043201 GO:0045022 GO:0045335 GO:0046854 GO:0048015 GO:0050708 GO:0051301
170.060.3894.380.030.615dxuA GO:0000166 GO:0001779 GO:0001816 GO:0002250 GO:0002376 GO:0002551 GO:0002679 GO:0005524 GO:0005737 GO:0005829 GO:0005886 GO:0005942 GO:0006468 GO:0006661 GO:0006935 GO:0006954 GO:0007165 GO:0010628 GO:0010818 GO:0014065 GO:0014066 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0030101 GO:0030154 GO:0030217 GO:0030335 GO:0030593 GO:0035004 GO:0035005 GO:0035747 GO:0035754 GO:0036092 GO:0042110 GO:0042113 GO:0042629 GO:0043303 GO:0045087 GO:0046854 GO:0046934 GO:0048015 GO:0050852 GO:0050853 GO:0060374 GO:0072672
180.060.3705.290.040.711he8A GO:0000166 GO:0001525 GO:0001816 GO:0001932 GO:0002250 GO:0002376 GO:0002407 GO:0002675 GO:0002679 GO:0004672 GO:0004674 GO:0005524 GO:0005737 GO:0005829 GO:0005886 GO:0005942 GO:0005944 GO:0006468 GO:0006661 GO:0006897 GO:0006935 GO:0006954 GO:0007186 GO:0007204 GO:0010818 GO:0010897 GO:0014065 GO:0016020 GO:0016301 GO:0016303 GO:0016310 GO:0016740 GO:0030168 GO:0030593 GO:0032252 GO:0033628 GO:0035004 GO:0035005 GO:0035747 GO:0036092 GO:0042098 GO:0042110 GO:0042629 GO:0043085 GO:0043303 GO:0043406 GO:0045087 GO:0046854 GO:0046875 GO:0046934 GO:0048015 GO:0051897 GO:0055118 GO:0070527 GO:0071320 GO:0072672 GO:0097284 GO:1903169 GO:2000270


Consensus prediction of GO terms		 
Molecular Function GO:0052742 GO:0032550 GO:0035639 GO:0032559 GO:0035004 GO:0008187 GO:0090079 GO:0070717 GO:0005515
GO-Score 0.47 0.47 0.47 0.47 0.47 0.34 0.34 0.34 0.34
Biological Processes GO:0006661 GO:0048017 GO:0046834 GO:0006464 GO:0010557 GO:1903902 GO:0031328 GO:0006417 GO:0000377 GO:0045069 GO:0031124 GO:0016458 GO:2000622 GO:0034250 GO:1902373 GO:0010628 GO:0060211 GO:0043631 GO:0043489 GO:0061014 GO:0032270
GO-Score 0.47 0.47 0.47 0.36 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
Cellular Component GO:0044444 GO:0061695 GO:0019898 GO:0098796 GO:0031988 GO:0005924 GO:0005681 GO:0035770 GO:1903561
GO-Score 0.54 0.36 0.36 0.36 0.34 0.34 0.34 0.34 0.34

(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.