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I-TASSER results for job id Rv3312A

[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
10.12 4 2yiuC SMA Rep, Mult 60,61
20.09 3 1fiqA FES Rep, Mult 59,60,61,63,75,78
30.03 1 1cq1B CA Rep, Mult 52,53
40.03 1 2ckjD FES Rep, Mult 40,42,66,67
50.03 1 2b0qA MG Rep, Mult 63,76
60.03 1 2o012 CLA Rep, Mult 19,20
70.03 1 2wse4 CLA Rep, Mult 66,85
80.03 1 1cb8A CA Rep, Mult 54,56,57,63,64
90.03 1 3prqX CLA Rep, Mult 9,16
100.03 1 2wse1 CLA Rep, Mult 21,24
110.03 1 2kuoA ZN Rep, Mult 42,52,60,61,65

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
10.0602ztgA0.4413.260.0340.6126.1.1.7NA
20.0603d4sA0.4274.220.0320.7183.2.1.17NA
30.0602np0A0.3584.530.0210.6413.4.24.69NA
40.0601s4fA0.4384.100.0920.7772.7.7.4845
50.0603d8vA0.4254.240.0470.7572.7.7.23,2.3.1.157NA
60.0601y0vD0.4814.390.0290.8644.6.1.152
70.0603b9jC0.3674.810.0520.7091.17.3.2,1.17.1.4NA
80.0601ug9A0.4334.570.0800.8063.2.1.70NA
90.0603gigA0.4583.580.0600.7092.7.13.365
100.0602albA0.2664.650.0170.4955.3.4.1NA
110.0602e1qA0.4593.730.0590.7481.17.3.2,1.17.1.4NA
120.0602dmmA0.2864.440.0250.5445.3.4.1NA
130.0603h0gA0.4764.220.0310.8642.7.7.653
140.0601t3tA0.4544.780.0500.8456.3.5.363
150.0602q1fA0.4223.940.0100.6804.2.2.21NA
160.0602vkzG0.4364.430.0100.8162.3.1.38,3.1.2.14NA
170.0603b9jI0.2624.780.0000.4951.17.1.4,1.17.3.264
180.0602cjqA0.3824.760.0830.7772.7.7.48,3.4.21.11344,54
190.0601z0hB0.3365.130.0400.6803.4.24.69NA

(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
00.210.6922.910.180.962w0cT GO:0016020 GO:0019012 GO:0055036
10.070.4833.500.030.743vw7A GO:0000186 GO:0001965 GO:0002248 GO:0003105 GO:0003796 GO:0003824 GO:0004871 GO:0004930 GO:0005102 GO:0005576 GO:0005769 GO:0005770 GO:0005794 GO:0005829 GO:0005886 GO:0005887 GO:0005901 GO:0006919 GO:0006954 GO:0007165 GO:0007186 GO:0007200 GO:0007204 GO:0007205 GO:0007260 GO:0007262 GO:0007529 GO:0007596 GO:0007599 GO:0008152 GO:0008284 GO:0008285 GO:0009253 GO:0009611 GO:0009653 GO:0009986 GO:0014068 GO:0015057 GO:0016020 GO:0016021 GO:0016787 GO:0016798 GO:0016998 GO:0019076 GO:0019835 GO:0030168 GO:0030193 GO:0030194 GO:0030335 GO:0030430 GO:0031094 GO:0031594 GO:0031681 GO:0032496 GO:0032651 GO:0032967 GO:0035025 GO:0042742 GO:0043123 GO:0043280 GO:0043410 GO:0043524 GO:0045211 GO:0045893 GO:0045907 GO:0045987 GO:0046427 GO:0048873 GO:0051209 GO:0051281 GO:0051482 GO:0051928 GO:0051930 GO:0060155 GO:0070374 GO:0070493 GO:1900134 GO:2000484 GO:2000778
20.070.4673.560.070.704phuA GO:0003796 GO:0003824 GO:0004871 GO:0004930 GO:0005085 GO:0005886 GO:0005887 GO:0007165 GO:0007186 GO:0008152 GO:0008289 GO:0009253 GO:0016020 GO:0016021 GO:0016787 GO:0016798 GO:0016998 GO:0019076 GO:0019835 GO:0030073 GO:0030430 GO:0032024 GO:0042593 GO:0042742 GO:0043547 GO:0045125 GO:0051928 GO:0070542
30.070.4413.990.030.735dsgB 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
40.060.4093.630.070.675ee7A 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
50.060.3214.720.030.644iapA GO:0000742 GO:0001403 GO:0003796 GO:0003824 GO:0005545 GO:0005737 GO:0005886 GO:0006810 GO:0006869 GO:0006887 GO:0006897 GO:0007124 GO:0008142 GO:0008152 GO:0008289 GO:0009253 GO:0010922 GO:0015248 GO:0015918 GO:0016021 GO:0016787 GO:0016798 GO:0016998 GO:0019076 GO:0019835 GO:0030011 GO:0030430 GO:0032541 GO:0034727 GO:0035621 GO:0042742
60.060.3693.840.020.544dklA 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
70.060.3914.470.010.704s0vA GO:0004373 GO:0004871 GO:0004930 GO:0005886 GO:0005887 GO:0007165 GO:0007186 GO:0007200 GO:0007218 GO:0007268 GO:0007631 GO:0008188 GO:0010840 GO:0016020 GO:0016021 GO:0016499 GO:0017046 GO:0022410 GO:0032870 GO:0042277 GO:0045187 GO:0051480 GO:1901652
80.060.4514.110.030.734k5yA 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
90.060.3694.580.060.675dgyA GO:0000139 GO:0001523 GO:0001750 GO:0001917 GO:0002046 GO:0003796 GO:0003824 GO:0004871 GO:0004930 GO:0005794 GO:0005886 GO:0005887 GO:0005911 GO:0006468 GO:0007165 GO:0007186 GO:0007601 GO:0007602 GO:0007603 GO:0008020 GO:0008152 GO:0009253 GO:0009416 GO:0009583 GO:0009585 GO:0009881 GO:0016020 GO:0016021 GO:0016038 GO:0016056 GO:0016787 GO:0016798 GO:0016918 GO:0016998 GO:0018298 GO:0019076 GO:0019835 GO:0022400 GO:0030430 GO:0030507 GO:0030660 GO:0030867 GO:0042622 GO:0042742 GO:0045494 GO:0046872 GO:0050896 GO:0050953 GO:0051219 GO:0060041 GO:0060170 GO:0060342 GO:0071482 GO:0097381
100.060.4393.950.010.743oduA GO:0000187 GO:0001618 GO:0001666 GO:0001764 GO:0002064 GO:0002407 GO:0003779 GO:0004871 GO:0004930 GO:0004950 GO:0005737 GO:0005764 GO:0005768 GO:0005769 GO:0005770 GO:0005886 GO:0006915 GO:0006935 GO:0006954 GO:0007165 GO:0007186 GO:0007204 GO:0008038 GO:0008144 GO:0009615 GO:0009986 GO:0015026 GO:0016020 GO:0016021 GO:0016023 GO:0016032 GO:0016477 GO:0016494 GO:0019064 GO:0019722 GO:0019955 GO:0022029 GO:0030054 GO:0030260 GO:0030334 GO:0031252 GO:0031410 GO:0031625 GO:0032027 GO:0043067 GO:0043130 GO:0043217 GO:0048714 GO:0050920 GO:0051924 GO:0060048 GO:0070062 GO:0070098 GO:0071345
110.060.3304.370.060.563pblA 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
120.060.3994.510.030.763emlA GO:0001609 GO:0001973 GO:0003796 GO:0003824 GO:0004871 GO:0004930 GO:0005886 GO:0005887 GO:0006171 GO:0006909 GO:0006915 GO:0006954 GO:0006968 GO:0007165 GO:0007186 GO:0007188 GO:0007267 GO:0007417 GO:0007596 GO:0007600 GO:0008015 GO:0008152 GO:0009253 GO:0010579 GO:0016020 GO:0016021 GO:0016787 GO:0016798 GO:0016998 GO:0019076 GO:0019835 GO:0019899 GO:0030430 GO:0042742 GO:0042802 GO:0044267
130.060.3783.260.040.503v2yA 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
140.060.3283.900.010.522ks9A GO:0002118 GO:0002526 GO:0002687 GO:0003051 GO:0004871 GO:0004930 GO:0004995 GO:0005737 GO:0005829 GO:0005886 GO:0005887 GO:0006954 GO:0007165 GO:0007166 GO:0007186 GO:0007200 GO:0007204 GO:0007217 GO:0007268 GO:0007611 GO:0007616 GO:0008217 GO:0008306 GO:0009408 GO:0009582 GO:0009725 GO:0009986 GO:0010193 GO:0010634 GO:0010996 GO:0014070 GO:0014910 GO:0016020 GO:0016021 GO:0016496 GO:0019233 GO:0030425 GO:0032224 GO:0032230 GO:0032355 GO:0032570 GO:0035094 GO:0035106 GO:0035815 GO:0042713 GO:0042755 GO:0043117 GO:0043278 GO:0044297 GO:0045471 GO:0045760 GO:0045777 GO:0045778 GO:0045907 GO:0045987 GO:0046878 GO:0046887 GO:0048265 GO:0048266 GO:0048660 GO:0050671 GO:0050679 GO:0051496 GO:0051602 GO:0060083 GO:0070472 GO:0070474 GO:0071944
150.060.4194.210.020.614z34A GO:0000187 GO:0001965 GO:0004871 GO:0004930 GO:0005506 GO:0005543 GO:0005737 GO:0005768 GO:0005886 GO:0005887 GO:0007165 GO:0007186 GO:0007193 GO:0007202 GO:0007204 GO:0007420 GO:0008289 GO:0008360 GO:0009055 GO:0009986 GO:0010942 GO:0010977 GO:0014003 GO:0016020 GO:0016021 GO:0020037 GO:0021549 GO:0021554 GO:0022008 GO:0022038 GO:0022900 GO:0030139 GO:0030165 GO:0030818 GO:0032060 GO:0035025 GO:0035727 GO:0042552 GO:0042597 GO:0043005 GO:0043025 GO:0043065 GO:0043123 GO:0043197 GO:0043198 GO:0043410 GO:0046872 GO:0051482 GO:0051496 GO:0055114 GO:0060326 GO:0060999 GO:0070915 GO:0071453 GO:0071673 GO:1904566
160.060.3073.550.070.492g87A GO:0000139 GO:0001750 GO:0001917 GO:0004871 GO:0004930 GO:0005085 GO:0005794 GO:0005886 GO:0005887 GO:0005911 GO:0006468 GO:0007165 GO:0007186 GO:0007601 GO:0007602 GO:0007603 GO:0008020 GO:0009416 GO:0009583 GO:0009881 GO:0016020 GO:0016021 GO:0016038 GO:0016056 GO:0018298 GO:0022400 GO:0042622 GO:0043547 GO:0045494 GO:0046872 GO:0050896 GO:0050953 GO:0060041 GO:0060342 GO:0071482 GO:0097381
170.060.3784.910.030.754wtvA 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
180.060.3543.970.010.504tn3B GO:0000413 GO:0003755 GO:0003796 GO:0003824 GO:0004842 GO:0005622 GO:0006457 GO:0006914 GO:0008152 GO:0008270 GO:0009253 GO:0016567 GO:0016787 GO:0016798 GO:0016998 GO:0019076 GO:0019835 GO:0030430 GO:0042742 GO:0045087 GO:0046872 GO:0051607


Consensus prediction of GO terms
 
Molecular Function GO:0004553 GO:0004888 GO:0098772
GO-Score 0.47 0.47 0.37
Biological Processes GO:0009617 GO:0000270 GO:0098542 GO:0044036 GO:0007165 GO:0019058 GO:0044248 GO:0006027 GO:0043087 GO:0051345
GO-Score 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.37 0.37
Cellular Component GO:0031226 GO:0033646 GO:0044423 GO:0016021
GO-Score 0.47 0.47 0.42 0.38

(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.