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I-TASSER results for job id Rv2133c

[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
10.17 14 3qk0A QK0 Rep, Mult 13,20,22,35,37,57,73,164,166,176,177
20.10 8 4hndA ADP Rep, Mult 13,16,17,20,22,35,37,176
30.07 6 4xw6A PO4 Rep, Mult 17,159,161,165,177
40.07 6 3pvbA MN Rep, Mult 17,159,177,180
50.05 4 1z2nX MG Rep, Mult 159,177
60.02 2 3c51B MG Rep, Mult 35,57,177
70.01 1 3r21A MG Rep, Mult 57,179

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
10.0603epsA0.4795.040.0450.6992.7.11.5177
20.0602jedA0.4624.740.0980.6562.7.11.13159,161
30.0601a25A0.2035.190.0830.3132.7.11.13161
40.0602w1zB0.4645.240.0870.7252.7.-.-159
50.0603ihyC0.5964.160.0790.7862.7.1.13737,159,166
60.0601erkA0.4784.620.0790.6762.7.11.24,2.7.1.-159,161
70.0603e3pA0.4714.480.0900.6532.7.1.37159,161
80.0603h4jB0.4834.750.0530.6952.7.11.157
90.0603lm0A0.4674.550.0790.6532.7.11.1159,161,166,176
100.0601cm8A0.4624.660.0790.6452.7.11.24159,161,163
110.0603itzA0.4694.980.0890.6832.7.11.24155,161,177,180
120.0602fh9A0.4234.640.0780.6072.7.11.1NA
130.0603gc8A0.4724.660.0950.6722.7.11.24159,161
140.0602h96A0.5014.460.1210.6912.7.11.24159,161
150.0603e7oA0.4684.580.1250.6562.7.11.24159,161
160.0602a4zA0.5325.010.0500.8092.7.1.15337,159
170.0602ewaA0.4544.550.0900.6412.7.11.24,2.7.1.37159,161
180.0602x6fA0.5974.280.0910.7982.7.1.137,2.7.1.153,2.7.1.154159,179
190.0601q8zB0.5214.750.0690.7412.7.11.1159,161

(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
00.340.7872.800.170.904hndA GO:0000166 GO:0000287 GO:0002561 GO:0004430 GO:0005524 GO:0005739 GO:0005765 GO:0005768 GO:0005794 GO:0005829 GO:0005886 GO:0005887 GO:0006661 GO:0016020 GO:0016023 GO:0016301 GO:0016310 GO:0016740 GO:0030054 GO:0030425 GO:0030672 GO:0031083 GO:0031224 GO:0031410 GO:0031901 GO:0032403 GO:0035651 GO:0035838 GO:0042734 GO:0042995 GO:0043005 GO:0043025 GO:0043204 GO:0043231 GO:0043234 GO:0044231 GO:0045121 GO:0045202 GO:0046854 GO:0070382 GO:0098779
10.330.7732.920.160.895i0nA GO:0000166 GO:0000287 GO:0002561 GO:0003796 GO:0003824 GO:0004430 GO:0005524 GO:0005739 GO:0005765 GO:0005768 GO:0005794 GO:0005829 GO:0005886 GO:0005887 GO:0006661 GO:0008152 GO:0009253 GO:0016020 GO:0016023 GO:0016301 GO:0016310 GO:0016740 GO:0016787 GO:0016798 GO:0016998 GO:0019835 GO:0030054 GO:0030425 GO:0030672 GO:0031083 GO:0031224 GO:0031410 GO:0031901 GO:0032403 GO:0035651 GO:0035838 GO:0042734 GO:0042742 GO:0042995 GO:0043005 GO:0043025 GO:0043204 GO:0043231 GO:0043234 GO:0044231 GO:0045121 GO:0045202 GO:0046854 GO:0070382 GO:0098779
20.310.7612.690.150.864wtvB GO:0000166 GO:0003796 GO:0003824 GO:0004430 GO:0005524 GO:0005737 GO:0005829 GO:0006661 GO:0008152 GO:0009253 GO:0016020 GO:0016301 GO:0016310 GO:0016740 GO:0016787 GO:0016798 GO:0016998 GO:0019076 GO:0019835 GO:0030430 GO:0042742 GO:0046854
30.290.7402.790.140.844wtvA GO:0000166 GO:0003796 GO:0003824 GO:0004430 GO:0005524 GO:0005737 GO:0005829 GO:0006661 GO:0008152 GO:0009253 GO:0016020 GO:0016301 GO:0016310 GO:0016740 GO:0016787 GO:0016798 GO:0016998 GO:0019076 GO:0019835 GO:0030430 GO:0042742 GO:0046854
40.060.2936.840.060.554k3uA GO:0016787
50.060.3125.910.070.523v2yA GO:0001525 GO:0001664 GO:0001955 GO:0003245 GO:0003376 GO:0003796 GO:0003824 GO:0004871 GO:0004930 GO:0005768 GO:0005829 GO:0005886 GO:0006935 GO:0007155 GO:0007165 GO:0007186 GO:0007193 GO:0007420 GO:0008152 GO:0008284 GO:0009253 GO:0009897 GO:0016020 GO:0016021 GO:0016477 GO:0016787 GO:0016798 GO:0016998 GO:0019076 GO:0019226 GO:0019835 GO:0030032 GO:0030155 GO:0030182 GO:0030335 GO:0030430 GO:0030500 GO:0031226 GO:0031532 GO:0038036 GO:0042742 GO:0043547 GO:0045121 GO:0045124 GO:0045446 GO:0045944 GO:0046625 GO:0048661 GO:0050927 GO:0051482 GO:0051497 GO:0061384 GO:0072678
60.060.3316.150.040.565ee7A GO:0003796 GO:0003824 GO:0004871 GO:0004888 GO:0004930 GO:0004967 GO:0005085 GO:0005768 GO:0005886 GO:0005887 GO:0006091 GO:0006887 GO:0007165 GO:0007166 GO:0007186 GO:0007188 GO:0007189 GO:0007584 GO:0008152 GO:0008217 GO:0009253 GO:0009755 GO:0016020 GO:0016021 GO:0016787 GO:0016798 GO:0016998 GO:0017046 GO:0019076 GO:0019835 GO:0030430 GO:0042593 GO:0042594 GO:0042742 GO:0043547 GO:0070873 GO:0071377
70.060.3125.960.060.523uonA GO:0003796 GO:0003824 GO:0004871 GO:0004930 GO:0005886 GO:0005887 GO:0006940 GO:0007165 GO:0007186 GO:0007187 GO:0007188 GO:0007197 GO:0007207 GO:0007213 GO:0007271 GO:0007399 GO:0008016 GO:0008144 GO:0008152 GO:0009253 GO:0009615 GO:0016020 GO:0016021 GO:0016787 GO:0016798 GO:0016907 GO:0016998 GO:0019076 GO:0019835 GO:0030054 GO:0030425 GO:0030430 GO:0032279 GO:0032280 GO:0042742 GO:0043025 GO:0043679 GO:0045202 GO:0045211
80.060.3195.870.090.533pblA GO:0000122 GO:0001588 GO:0001591 GO:0001963 GO:0001975 GO:0002016 GO:0002031 GO:0003796 GO:0003824 GO:0004871 GO:0004930 GO:0004952 GO:0005886 GO:0005887 GO:0006874 GO:0007165 GO:0007186 GO:0007191 GO:0007194 GO:0007195 GO:0007212 GO:0007611 GO:0007612 GO:0007626 GO:0008144 GO:0008152 GO:0008284 GO:0008542 GO:0009253 GO:0014059 GO:0016020 GO:0016021 GO:0016787 GO:0016798 GO:0016998 GO:0019076 GO:0019216 GO:0019835 GO:0019904 GO:0030139 GO:0030430 GO:0030814 GO:0031748 GO:0032416 GO:0032467 GO:0032922 GO:0034776 GO:0035176 GO:0035240 GO:0035483 GO:0035815 GO:0040012 GO:0040014 GO:0042220 GO:0042417 GO:0042493 GO:0042742 GO:0042995 GO:0043278 GO:0045177 GO:0045187 GO:0045471 GO:0045776 GO:0045840 GO:0045944 GO:0046717 GO:0048148 GO:0048715 GO:0050482 GO:0050709 GO:0050883 GO:0051584 GO:0051898 GO:0060134 GO:0060160 GO:0060161 GO:0090325
90.060.3095.730.040.505d5aA GO:0001666 GO:0001889 GO:0001965 GO:0001993 GO:0002024 GO:0002025 GO:0002028 GO:0002032 GO:0002086 GO:0003059 GO:0003796 GO:0003824 GO:0004871 GO:0004930 GO:0004935 GO:0004941 GO:0005634 GO:0005737 GO:0005764 GO:0005768 GO:0005769 GO:0005886 GO:0005887 GO:0005901 GO:0006898 GO:0006940 GO:0007165 GO:0007166 GO:0007171 GO:0007186 GO:0007188 GO:0007189 GO:0007190 GO:0007267 GO:0007565 GO:0007568 GO:0008144 GO:0008152 GO:0008179 GO:0008284 GO:0008306 GO:0008333 GO:0009253 GO:0009409 GO:0010765 GO:0015459 GO:0016020 GO:0016021 GO:0016324 GO:0016525 GO:0016787 GO:0016798 GO:0016998 GO:0019076 GO:0019835 GO:0019899 GO:0030279 GO:0030424 GO:0030425 GO:0030430 GO:0030501 GO:0031398 GO:0031649 GO:0031713 GO:0032403 GO:0032570 GO:0032781 GO:0032809 GO:0033574 GO:0035240 GO:0035249 GO:0035255 GO:0035811 GO:0040015 GO:0042060 GO:0042312 GO:0042383 GO:0042742 GO:0042803 GO:0043065 GO:0043197 GO:0043231 GO:0043235 GO:0043268 GO:0043410 GO:0043627 GO:0044849 GO:0045453 GO:0045823 GO:0045909 GO:0045944 GO:0045986 GO:0048633 GO:0050728 GO:0050873 GO:0051379 GO:0051380 GO:0051924 GO:0051930 GO:0060079 GO:0071456 GO:0071548 GO:0071867 GO:0071880 GO:0090331 GO:0097421 GO:1901098 GO:1904504 GO:1904925
100.060.3016.090.020.525dcyA GO:0005737 GO:0005829 GO:0016099 GO:0016491 GO:0016628 GO:0042803 GO:0055114
110.060.2926.140.020.495cxvA GO:0003056 GO:0003796 GO:0003824 GO:0004435 GO:0004871 GO:0004930 GO:0005886 GO:0005887 GO:0006464 GO:0007165 GO:0007186 GO:0007197 GO:0007205 GO:0007207 GO:0007213 GO:0007271 GO:0007274 GO:0007399 GO:0008144 GO:0008152 GO:0008283 GO:0008284 GO:0009253 GO:0014069 GO:0016020 GO:0016021 GO:0016787 GO:0016798 GO:0016907 GO:0016998 GO:0019076 GO:0019835 GO:0030054 GO:0030425 GO:0030430 GO:0032279 GO:0040012 GO:0042742 GO:0043270 GO:0043679 GO:0045202 GO:0045211 GO:0046541 GO:0050890 GO:0090316
120.060.3035.950.040.514dklA GO:0001965 GO:0002438 GO:0003796 GO:0003824 GO:0004871 GO:0004930 GO:0004979 GO:0004985 GO:0005245 GO:0005737 GO:0005829 GO:0005886 GO:0005887 GO:0005925 GO:0007165 GO:0007186 GO:0007191 GO:0007193 GO:0007194 GO:0007200 GO:0007204 GO:0007218 GO:0007268 GO:0007626 GO:0008022 GO:0008152 GO:0009253 GO:0009314 GO:0016020 GO:0016021 GO:0016787 GO:0016798 GO:0016998 GO:0019076 GO:0019233 GO:0019835 GO:0019904 GO:0030425 GO:0030430 GO:0030818 GO:0031005 GO:0031635 GO:0031681 GO:0032094 GO:0032100 GO:0032496 GO:0032590 GO:0032839 GO:0033554 GO:0038003 GO:0038047 GO:0042060 GO:0042220 GO:0042383 GO:0042742 GO:0042755 GO:0042923 GO:0043005 GO:0043204 GO:0043278 GO:0043950 GO:0043951 GO:0044849 GO:0045019 GO:0045121 GO:0045429 GO:0045471 GO:0048149 GO:0050769 GO:0051481 GO:0051930 GO:0060079 GO:0061358 GO:0070374 GO:0070588 GO:0070848 GO:0071315 GO:0098794 GO:2000310
130.060.2976.800.030.564eclA GO:0003824 GO:0006522 GO:0008784 GO:0016020 GO:0016021 GO:0016747 GO:0016853 GO:0016855 GO:0030170 GO:0046677
140.060.2896.490.040.524u15B GO:0003056 GO:0003796 GO:0003824 GO:0004871 GO:0004930 GO:0005886 GO:0005887 GO:0006939 GO:0007165 GO:0007186 GO:0007197 GO:0007207 GO:0007213 GO:0007271 GO:0007586 GO:0008144 GO:0008152 GO:0009253 GO:0016020 GO:0016021 GO:0016323 GO:0016787 GO:0016798 GO:0016907 GO:0016998 GO:0019229 GO:0019835 GO:0030054 GO:0030425 GO:0032279 GO:0042166 GO:0042742 GO:0043679 GO:0045202 GO:0045211 GO:0045987 GO:0046541
150.060.2826.590.030.524u14A GO:0003056 GO:0003796 GO:0003824 GO:0004871 GO:0004930 GO:0005886 GO:0005887 GO:0006939 GO:0007165 GO:0007186 GO:0007197 GO:0007207 GO:0007213 GO:0007271 GO:0007586 GO:0008144 GO:0008152 GO:0009253 GO:0016020 GO:0016021 GO:0016323 GO:0016787 GO:0016798 GO:0016907 GO:0016998 GO:0019076 GO:0019229 GO:0019835 GO:0030054 GO:0030425 GO:0030430 GO:0032279 GO:0042166 GO:0042742 GO:0043679 GO:0045202 GO:0045211 GO:0045987 GO:0046541
160.060.2996.290.030.505dsgB GO:0003796 GO:0003824 GO:0004871 GO:0004930 GO:0005085 GO:0005737 GO:0005886 GO:0005887 GO:0007165 GO:0007166 GO:0007186 GO:0007197 GO:0007207 GO:0007213 GO:0007271 GO:0008152 GO:0008283 GO:0009253 GO:0010033 GO:0014069 GO:0016020 GO:0016021 GO:0016787 GO:0016798 GO:0016907 GO:0016998 GO:0019076 GO:0019835 GO:0030054 GO:0030430 GO:0032279 GO:0040012 GO:0042383 GO:0042742 GO:0043025 GO:0043547 GO:0043679 GO:0045202 GO:0045211
170.060.2826.460.040.523rzeA GO:0003796 GO:0003824 GO:0004871 GO:0004930 GO:0004969 GO:0005654 GO:0005737 GO:0005886 GO:0005887 GO:0006954 GO:0007165 GO:0007186 GO:0007200 GO:0007613 GO:0008152 GO:0008542 GO:0009253 GO:0016020 GO:0016021 GO:0016787 GO:0016798 GO:0016998 GO:0019076 GO:0019229 GO:0019835 GO:0030430 GO:0032962 GO:0042742 GO:0043114 GO:0045907 GO:0048016 GO:0048167 GO:0048245 GO:0050804 GO:0071420
180.060.3306.070.030.554k5yA GO:0003796 GO:0003824 GO:0004871 GO:0004888 GO:0004930 GO:0005768 GO:0005886 GO:0005887 GO:0006955 GO:0007165 GO:0007166 GO:0007186 GO:0007190 GO:0007565 GO:0007567 GO:0008152 GO:0009253 GO:0010578 GO:0010579 GO:0015056 GO:0016020 GO:0016021 GO:0016787 GO:0016798 GO:0016998 GO:0019076 GO:0019835 GO:0030430 GO:0031226 GO:0042742 GO:0051458 GO:0071376 GO:1901386 GO:2000852


Consensus prediction of GO terms
 
Molecular Function GO:0005524 GO:0004430 GO:0003796 GO:0000287 GO:0035651
GO-Score 0.78 0.78 0.67 0.56 0.56
Biological Processes GO:0046854 GO:0006661 GO:0016998 GO:0019835 GO:0009253 GO:0042742 GO:0098779 GO:0002561 GO:0019076
GO-Score 0.78 0.78 0.67 0.67 0.67 0.67 0.56 0.56 0.51
Cellular Component GO:0042734 GO:0005794 GO:0031083 GO:0005887 GO:0044231 GO:0005739 GO:0030425 GO:0035838 GO:0030054 GO:0045121 GO:0043204 GO:0031901 GO:0005765 GO:0030672 GO:0030430
GO-Score 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.51

(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.