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I-TASSER results for job id Rv0361

[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
10.07 3 1gzmA C8E Rep, Mult 174,177
20.07 3 5d56E 78M Rep, Mult 174,177,181
30.05 2 1i9bA CA Rep, Mult 205,208
40.05 2 1or8A GLY Rep, Mult 190,203
50.02 1 1mv0B III Rep, Mult 148,198,202,223,225,227
60.02 1 3cjyA CA Rep, Mult 40,58
70.02 1 1zzhB ZN Rep, Mult 264,265,266
80.02 1 1ewjB BLM Rep, Mult 262,267
90.02 1 1nd4A MG Rep, Mult 241,259
100.02 1 5cbgF CA Rep, Mult 35,163
110.02 1 2zs0B CA Rep, Mult 196,199
120.02 1 3pyrI MG Rep, Mult 186,189
130.02 1 5jqhB CLR Rep, Mult 156,174,175
140.02 1 3lw52 CLA Rep, Mult 77,81
150.02 1 4afyA MG Rep, Mult 168,170

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
10.0601qo8D0.2955.250.0360.4361.3.99.130
20.0603a1cB0.2226.200.0300.3863.6.3.-NA
30.0602gblA0.2965.590.0860.4692.7.11.1184,189
40.0601kv9A0.2955.180.0350.4361.1.99.-NA
50.0602d09A0.2186.070.0880.3491.14.-.-NA
60.0601t3tA0.3256.370.0510.5646.3.5.3NA
70.0603b6hB0.2925.160.0630.4255.3.99.4NA
80.0602vz9B0.2996.190.0350.5202.3.1.85NA
90.0603k9vA0.2935.890.0480.4761.14.13.-NA
100.0601bdgA0.2966.010.0610.4912.7.1.1NA
110.0602jfdA0.2406.750.0050.4402.3.1.85NA
120.0603l4uA0.2965.810.0220.4763.2.1.20,3.2.1.3NA
130.0601w0eA0.2975.120.0340.4401.14.13.67,1.14.14.1NA
140.0602nztA0.3185.300.0290.4872.7.1.1NA
150.0601qo8A0.2945.360.0470.4401.3.99.1NA
160.0603hf2A0.2945.680.0400.4621.14.14.1,1.6.2.431
170.0603hmjA0.3016.240.0470.5202.3.1.86NA
180.0602vz8A0.2906.550.0320.5242.3.1.85NA
190.0603cskA0.3316.080.0470.5453.4.14.4150

(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
00.070.6093.260.100.751mv3A GO:0005634 GO:0005737 GO:0006897 GO:0006997 GO:0007275 GO:0008283 GO:0015629 GO:0016020 GO:0016032 GO:0030018 GO:0030100 GO:0030154 GO:0030315 GO:0030424 GO:0031674 GO:0033268 GO:0042692 GO:0042802 GO:0043065 GO:0043194 GO:0045664 GO:0048156 GO:0048711 GO:0051015 GO:0060987 GO:0060988 GO:0070063 GO:0071156
10.060.2165.670.030.334a63B GO:0002039 GO:0005070 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0006915 GO:0007049 GO:0007165 GO:0017124 GO:0042802 GO:0042981 GO:0045786 GO:0048471 GO:0051059 GO:0072332 GO:1900119 GO:1900740 GO:1901216 GO:1901796
20.060.2186.050.040.362vgeA GO:0000122 GO:0003215 GO:0003229 GO:0003714 GO:0005634 GO:0005654 GO:0005737 GO:0005913 GO:0006351 GO:0006355 GO:0006915 GO:0008134 GO:0009791 GO:0030054 GO:0031076 GO:0035264 GO:0042633 GO:0042802 GO:0045171 GO:0045597 GO:0048871 GO:0060048 GO:0098609 GO:0098641 GO:1901796
30.060.2345.240.060.351agsA GO:0004364 GO:0005737 GO:0005829 GO:0006749 GO:0008152 GO:0016740 GO:0030855 GO:0070062 GO:1901687
40.060.1963.850.080.251wxuA GO:0000268 GO:0001561 GO:0001764 GO:0001967 GO:0002230 GO:0005777 GO:0005778 GO:0005779 GO:0006810 GO:0007626 GO:0015031 GO:0016020 GO:0016021 GO:0016560 GO:0021795 GO:0043231 GO:0060152 GO:0098779 GO:0098792
50.060.2024.070.030.271x2qA GO:0005654 GO:0005737 GO:0005768 GO:0005829 GO:0006810 GO:0006886 GO:0006914 GO:0015031 GO:0016020 GO:0016197 GO:0031901 GO:0033565 GO:0036258 GO:0042059 GO:0043231
60.060.1354.430.040.191pnjA GO:0001678 GO:0001953 GO:0005068 GO:0005158 GO:0005159 GO:0005168 GO:0005634 GO:0005737 GO:0005801 GO:0005829 GO:0005911 GO:0005942 GO:0005943 GO:0006468 GO:0006810 GO:0007162 GO:0007165 GO:0008134 GO:0008286 GO:0008625 GO:0008630 GO:0014065 GO:0015031 GO:0016020 GO:0019903 GO:0030183 GO:0030335 GO:0032760 GO:0032869 GO:0033120 GO:0034644 GO:0034976 GO:0035014 GO:0036312 GO:0042993 GO:0043066 GO:0043125 GO:0043548 GO:0043551 GO:0043559 GO:0043560 GO:0045671 GO:0045944 GO:0046326 GO:0046854 GO:0046935 GO:0046982 GO:0048009 GO:0050821 GO:0051492 GO:0051531 GO:0060396 GO:0090003 GO:0090004 GO:1900103 GO:1990578 GO:2001275
70.060.1813.870.060.242lcsA GO:0000173 GO:0000200 GO:0005737 GO:0006469 GO:0006972 GO:0009408 GO:0030674
80.060.1843.670.030.241uffA GO:0005070 GO:0005089 GO:0005509 GO:0005737 GO:0005813 GO:0006897 GO:0009967 GO:0030154 GO:0035023 GO:0043547 GO:0046872 GO:0070062 GO:1903861
90.060.1863.930.050.242yuoA GO:0005096 GO:0005622 GO:0005737 GO:0005829 GO:0005921 GO:0006886 GO:0007049 GO:0007050 GO:0012505 GO:0017137 GO:0030695 GO:0031338 GO:0032483 GO:0032486 GO:0045732 GO:0048227 GO:0090630
100.060.1284.120.050.172ed0A GO:0003677 GO:0005737 GO:0005829 GO:0005856 GO:0006928 GO:0007010 GO:0008093 GO:0008154 GO:0016032 GO:0016477 GO:0016601 GO:0017124 GO:0018108 GO:0019900 GO:0030027 GO:0030175 GO:0031209 GO:0031625 GO:0032403 GO:0042995 GO:0048365 GO:0070064 GO:2000601
110.060.1653.620.120.212lj0A GO:0001725 GO:0003779 GO:0005070 GO:0005158 GO:0005634 GO:0005654 GO:0005737 GO:0005813 GO:0005829 GO:0005856 GO:0005886 GO:0005899 GO:0005912 GO:0005913 GO:0005915 GO:0005924 GO:0005925 GO:0006810 GO:0006936 GO:0007015 GO:0007160 GO:0008092 GO:0008286 GO:0009967 GO:0015758 GO:0016020 GO:0016363 GO:0030054 GO:0032869 GO:0043149 GO:0045121 GO:0045725 GO:0046326 GO:0046889 GO:0048041 GO:0090004
120.060.1496.690.020.271griA GO:0000165 GO:0005070 GO:0005088 GO:0005154 GO:0005168 GO:0005634 GO:0005654 GO:0005730 GO:0005737 GO:0005768 GO:0005794 GO:0005829 GO:0005886 GO:0005911 GO:0007173 GO:0007265 GO:0007267 GO:0007411 GO:0008180 GO:0008286 GO:0008543 GO:0009967 GO:0012506 GO:0014066 GO:0016020 GO:0016032 GO:0016303 GO:0017124 GO:0019901 GO:0019903 GO:0019904 GO:0030154 GO:0030838 GO:0031295 GO:0031623 GO:0036092 GO:0038095 GO:0038096 GO:0038128 GO:0042059 GO:0042770 GO:0042802 GO:0043408 GO:0043547 GO:0043560 GO:0044822 GO:0046854 GO:0046875 GO:0046934 GO:0048015 GO:0048646 GO:0050900 GO:0060670 GO:0070062 GO:0070436 GO:0071479 GO:2000379
130.060.2034.670.090.292e5kA GO:0004721 GO:0004725 GO:0005634 GO:0005737 GO:0006469 GO:0009968 GO:0016787 GO:0035335 GO:0045670 GO:0045671 GO:0045779 GO:0051279 GO:0090331
140.060.1763.600.100.222dl7A
150.060.1124.680.100.161awwA GO:0000166 GO:0001818 GO:0002250 GO:0002376 GO:0002721 GO:0002755 GO:0002902 GO:0004672 GO:0004713 GO:0004715 GO:0005102 GO:0005524 GO:0005547 GO:0005634 GO:0005737 GO:0005829 GO:0005886 GO:0006351 GO:0006355 GO:0006468 GO:0006915 GO:0007169 GO:0007249 GO:0007498 GO:0008289 GO:0016020 GO:0016301 GO:0016310 GO:0016740 GO:0018108 GO:0019722 GO:0031234 GO:0031410 GO:0035556 GO:0038083 GO:0038095 GO:0042113 GO:0042127 GO:0042802 GO:0043231 GO:0045087 GO:0045121 GO:0045579 GO:0046872 GO:0048469 GO:0050853 GO:0051092 GO:0097190
160.060.1703.970.120.231tg0A GO:0005737 GO:0005856 GO:0007010 GO:0017024 GO:0030036 GO:0030479
170.060.1643.780.080.214esrA GO:0001738 GO:0001947 GO:0002092 GO:0005737 GO:0005813 GO:0005814 GO:0005829 GO:0005856 GO:0005911 GO:0005912 GO:0005929 GO:0007169 GO:0007417 GO:0010842 GO:0016192 GO:0030030 GO:0030054 GO:0030862 GO:0030902 GO:0031513 GO:0034613 GO:0035844 GO:0035845 GO:0036038 GO:0036064 GO:0039008 GO:0039023 GO:0042384 GO:0042802 GO:0042995 GO:0043066 GO:0045944 GO:0050795 GO:0060271 GO:0065001 GO:0070121 GO:0070986 GO:0071599 GO:0072372
180.060.1084.540.050.152l0aA GO:0005070 GO:0005737 GO:0005768 GO:0005829 GO:0006810 GO:0006886 GO:0006914 GO:0007165 GO:0009967 GO:0015031 GO:0016020 GO:0016197 GO:0031901 GO:0033565 GO:0036258 GO:0042059 GO:1903543 GO:1903551


Consensus prediction of GO terms
 
Molecular Function GO:0005515
GO-Score 0.36
Biological Processes GO:1901796 GO:0071156 GO:0008283 GO:0042692 GO:0060988 GO:0030100 GO:0006997 GO:0048711 GO:0045664 GO:0003215 GO:0060048 GO:0001561 GO:0098779 GO:0048871 GO:0007626 GO:0030855 GO:1900740 GO:0001764 GO:0031076 GO:0098609 GO:1901687 GO:0021795 GO:0072332 GO:0016560 GO:0000122 GO:0002230 GO:1901216 GO:0042633 GO:0009791 GO:0098792 GO:0006749 GO:0003229 GO:0035264 GO:0060152 GO:1900119 GO:0001967
GO-Score 0.12 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06
Cellular Component GO:0043231
GO-Score 0.36

(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.