[Home] [Server] [About] [Statistics] [Annotation]

I-TASSER results for job id Rv3822

[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
10.08 4 4p0dA CA Rep, Mult 156,159
20.06 3 1ofdA F3S Rep, Mult 155,244,284,285,286,287,288,289,290,292,294
30.06 3 4lmhA HEC Rep, Mult 60,62,64,308,309,312,313,317,318,349,356,358,359,371
40.04 2 1qozA NAG Rep, Mult 113,114,134,137
50.02 1 1aorB SF4 Rep, Mult 150,184,186
60.02 1 2ofwC MG Rep, Mult 159,188
70.02 1 3attA MG Rep, Mult 222,232
80.02 1 4lmhA HEC Rep, Mult 187,203,317,318,319,320,321,328,332,347,352
90.02 1 4lmhA HEC Rep, Mult 17,18,21,22,25,61,72,74,86,87,92,95,133
100.02 1 4lmhA HEC Rep, Mult 96,100,102,104,108,110,111,112,113,116,117,123,126,132,260
110.02 1 3dd5B DEP Rep, Mult 75,122,156,157
120.02 1 2vc9A CA Rep, Mult 186,207,209
130.02 1 1ofeA ONL Rep, Mult 184,185,217,221,222,224
140.02 1 4lmhA HEC Rep, Mult 22,26,66,95,96,99,100,117,129,132,133,136
150.02 1 1xzoA CA Rep, Mult 188,191
160.02 1 4lmhA HEC Rep, Mult 21,24,25,56,59,61,62,63,73,361,365,366,367,368,370
170.02 1 4lmhC CA Rep, Mult 368
180.02 1 2gnmB MN Rep, Mult 228,230

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
10.0602gv9B0.3627.260.0630.6212.7.7.7257
20.0603ecqB0.3737.310.0400.6443.2.1.97150
30.0601bglA0.3637.230.0270.6213.2.1.23NA
40.0601l5jA0.3486.570.0420.5524.2.1.3NA
50.0601gl9B0.3617.090.0680.6045.99.1.3NA
60.0601zpdA0.3486.770.0350.5674.1.1.1NA
70.0602wvhA0.3476.850.0560.5724.1.1.1NA
80.0601jqnA0.3697.040.0200.6214.1.1.31NA
90.0601bxrA0.3757.260.0510.6466.3.5.5NA
100.0601ofdA0.4047.400.0500.7151.4.7.1NA
110.0603bq5A0.3516.890.0320.5842.1.1.14NA
120.0602pflA0.3607.410.0630.6362.3.1.54NA
130.0601xc6A0.3677.190.0430.6343.2.1.23187
140.0601q16A0.3417.140.0300.5791.7.99.4NA
150.0602ow6A0.3787.120.0480.6513.2.1.114NA
160.0602nq5A0.3487.340.0490.6092.1.1.14NA
170.0602pdaA0.3747.600.0560.6781.2.7.1162,197,230
180.0602eabA0.3507.340.0330.6113.2.1.63180
190.0602rd0A0.3476.650.0240.5472.7.1.153206

(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
00.210.8833.020.100.984lmhD GO:0009055 GO:0046872
10.110.6914.510.060.883ucpA GO:0046872 GO:0055114
20.080.6444.530.050.834lm8A GO:0009055 GO:0046872
30.070.6194.790.080.813pmqA GO:0009055 GO:0046872
40.060.3087.320.040.532b7rA GO:0000104 GO:0009055 GO:0009061 GO:0016491 GO:0019645 GO:0030288 GO:0042597 GO:0046872 GO:0055114
50.060.3027.590.030.541d4cA GO:0000104 GO:0006099 GO:0009061 GO:0016491 GO:0042597 GO:0046872 GO:0055114
60.060.2987.850.050.553n94A GO:0005215 GO:0005363 GO:0006810 GO:0006974 GO:0008643 GO:0015768 GO:0030288 GO:0034289 GO:0042597 GO:0042956 GO:0043190 GO:0055052 GO:0060326 GO:1901982 GO:1990060
70.060.2837.120.040.481qo8A GO:0000104 GO:0016491 GO:0042597 GO:0046872 GO:0055114
80.060.3046.910.040.514rkmB GO:0005506 GO:0005507 GO:0009061 GO:0016002 GO:0016491 GO:0016667 GO:0020037 GO:0042597 GO:0046872 GO:0055114 GO:0070207 GO:0070814 GO:1903136
90.060.2927.000.050.503a3cA GO:0003756 GO:0005215 GO:0005363 GO:0005739 GO:0005743 GO:0005758 GO:0006457 GO:0006626 GO:0006810 GO:0006974 GO:0008643 GO:0015031 GO:0015035 GO:0015768 GO:0016020 GO:0016021 GO:0016491 GO:0016972 GO:0030288 GO:0031305 GO:0034289 GO:0042597 GO:0042956 GO:0043190 GO:0045041 GO:0051537 GO:0055052 GO:0055114 GO:0060326 GO:1901982 GO:1990060
100.060.2867.030.040.484fe9A GO:0005975 GO:0005982 GO:0005983 GO:0009279 GO:0016020 GO:0019867 GO:2001070
110.060.2766.930.060.473ehuA GO:0004871 GO:0004888 GO:0004930 GO:0005215 GO:0005363 GO:0005768 GO:0005886 GO:0005887 GO:0006810 GO:0006955 GO:0006974 GO:0007165 GO:0007166 GO:0007186 GO:0007190 GO:0007565 GO:0007567 GO:0008643 GO:0010578 GO:0010579 GO:0015056 GO:0015768 GO:0016020 GO:0016021 GO:0030288 GO:0031226 GO:0034289 GO:0042597 GO:0042956 GO:0043190 GO:0051458 GO:0055052 GO:0060326 GO:0071376 GO:1901386 GO:1901982 GO:1990060 GO:2000852
120.060.2897.380.040.513o3uN GO:0001914 GO:0001933 GO:0001934 GO:0001937 GO:0004872 GO:0004888 GO:0005215 GO:0005363 GO:0005576 GO:0005615 GO:0005737 GO:0005829 GO:0005886 GO:0005887 GO:0006810 GO:0006954 GO:0006974 GO:0007162 GO:0007166 GO:0007259 GO:0007420 GO:0008643 GO:0009100 GO:0009611 GO:0009750 GO:0009925 GO:0009986 GO:0010508 GO:0010596 GO:0010628 GO:0010718 GO:0010763 GO:0014823 GO:0014911 GO:0015768 GO:0016020 GO:0016021 GO:0030288 GO:0030324 GO:0030335 GO:0030424 GO:0031175 GO:0032693 GO:0032735 GO:0032966 GO:0033189 GO:0033595 GO:0033689 GO:0034289 GO:0035690 GO:0042104 GO:0042597 GO:0042802 GO:0042956 GO:0043025 GO:0043065 GO:0043190 GO:0043525 GO:0044548 GO:0045087 GO:0048146 GO:0048661 GO:0050729 GO:0050785 GO:0051092 GO:0051595 GO:0055052 GO:0055074 GO:0055093 GO:0060100 GO:0060290 GO:0060326 GO:0070301 GO:0070379 GO:0071333 GO:0071398 GO:0071407 GO:0072714 GO:1901018 GO:1901216 GO:1901982 GO:1990060 GO:2000353 GO:2000379 GO:2000514 GO:2000676 GO:2001200
130.060.2767.180.040.483l2jA GO:0001501 GO:0001503 GO:0002062 GO:0002076 GO:0004871 GO:0004888 GO:0004930 GO:0004991 GO:0005215 GO:0005363 GO:0005622 GO:0005634 GO:0005737 GO:0005829 GO:0005886 GO:0005887 GO:0006810 GO:0006874 GO:0006974 GO:0007165 GO:0007166 GO:0007186 GO:0007187 GO:0007188 GO:0007189 GO:0007200 GO:0007204 GO:0007568 GO:0008284 GO:0008285 GO:0008643 GO:0015768 GO:0016020 GO:0016021 GO:0016323 GO:0016324 GO:0017046 GO:0030282 GO:0030288 GO:0031526 GO:0034289 GO:0042597 GO:0042956 GO:0043190 GO:0043235 GO:0043621 GO:0045453 GO:0048469 GO:0055052 GO:0060326 GO:0060732 GO:0070062 GO:1901982 GO:1990060
140.060.2437.260.050.424ixoB GO:0003824
150.060.2436.120.070.3719hcA GO:0009055 GO:0020037 GO:0042597 GO:0046872 GO:0055114
160.060.2587.230.040.454my2A GO:0001890 GO:0005109 GO:0005125 GO:0005215 GO:0005363 GO:0005576 GO:0005615 GO:0006810 GO:0007033 GO:0007165 GO:0007267 GO:0007399 GO:0007601 GO:0007605 GO:0008083 GO:0008283 GO:0008643 GO:0009986 GO:0015768 GO:0016055 GO:0031012 GO:0035426 GO:0042597 GO:0042803 GO:0045893 GO:0050896 GO:0051091 GO:0060070 GO:0061299
170.060.2616.880.040.434ed9A GO:0003824 GO:0016740
180.060.2466.970.050.421gwsA GO:0009055 GO:0020037 GO:0042597 GO:0046872 GO:0055114


Consensus prediction of GO terms
 
Molecular Function GO:0046872 GO:0009055
GO-Score 0.43 0.36
Biological Processes GO:0044710
GO-Score 0.33
Cellular Component GO:0030288
GO-Score 0.06

(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.