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I-TASSER results for job id Rv1481

[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
10.74 34 5e6rA MG Rep, Mult 104,106,108,174,210
20.01 1 1n9zA MG Rep, Mult 103,123,141
30.01 1 1oak1 III Rep, Mult 216,222,225,228,229,230,266,267,270

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
10.0602vz9B0.4505.760.0410.6722.3.1.85208
20.0601lnsA0.4355.930.0720.6603.4.14.11NA
30.0603cmmC0.4765.760.0780.7056.3.2.19177,213,222,229,242
40.0602ok5A0.4604.370.1020.5733.4.21.47NA
50.0602x42A0.4436.130.0930.6933.2.1.21240,265
60.0601w6uA0.4435.030.0610.6151.3.1.34262
70.0601b0pA0.4605.980.0700.7081.2.7.1NA
80.0603igyB0.4315.390.0740.6365.4.2.1210
90.0602qt3B0.4306.180.0710.6693.5.99.4NA
100.0602et6A0.4625.860.0570.7051.1.1.-NA
110.0601kzhB0.4295.420.0720.6092.7.1.90210
120.0601ga1A0.4504.580.0990.5943.4.21.100,3.4.23.37NA
130.0601f76A0.4376.280.0450.6961.3.3.1NA
140.0601q0pA0.4352.900.1700.4903.4.21.47274
150.0601thgA0.4275.740.0690.6513.1.1.3NA
160.0602pffD0.4706.130.0580.7432.3.1.86126,205,208,239
170.0602gkoA0.4304.790.0860.5823.4.21.14NA
180.0602e1pA0.4595.130.0980.6363.4.21.62NA
190.0602prmA0.4346.570.0430.7051.3.5.2214

(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
00.380.4832.660.140.541pt6B GO:0000187 GO:0001669 GO:0005102 GO:0005518 GO:0005886 GO:0005925 GO:0006936 GO:0007155 GO:0007160 GO:0007229 GO:0008285 GO:0008305 GO:0009897 GO:0009986 GO:0016020 GO:0016021 GO:0019903 GO:0030198 GO:0030593 GO:0032516 GO:0034665 GO:0042059 GO:0042311 GO:0043005 GO:0043204 GO:0043525 GO:0045121 GO:0045123 GO:0045178 GO:0046872 GO:0048812 GO:0060326 GO:0070062 GO:0098639
10.300.5381.740.230.573ibsA GO:0016020 GO:0016021
20.300.5162.050.230.564jduA GO:0016020 GO:0016021 GO:0046872
30.270.4752.760.200.555a5bW GO:0000502 GO:0005198 GO:0005634 GO:0005829 GO:0006511 GO:0008540 GO:0031593 GO:0043161 GO:0043248
40.260.4912.210.130.544wfqA GO:0000112 GO:0000439 GO:0000990 GO:0005634 GO:0005675 GO:0006281 GO:0006289 GO:0006351 GO:0006355 GO:0006366 GO:0006974 GO:0008270 GO:0016567 GO:0046872 GO:0061630 GO:0070816
50.260.4772.340.180.521shuX GO:0004872 GO:0005576 GO:0005783 GO:0005789 GO:0005886 GO:0009897 GO:0009986 GO:0010008 GO:0016020 GO:0016021 GO:0022414 GO:0046872 GO:1901998
60.240.4862.360.150.545ivw0 GO:0000439 GO:0000717 GO:0002031 GO:0003676 GO:0003700 GO:0004672 GO:0005634 GO:0005654 GO:0005675 GO:0006281 GO:0006283 GO:0006289 GO:0006293 GO:0006294 GO:0006295 GO:0006296 GO:0006351 GO:0006355 GO:0006361 GO:0006362 GO:0006363 GO:0006366 GO:0006367 GO:0006368 GO:0006370 GO:0006412 GO:0006468 GO:0006974 GO:0008094 GO:0008135 GO:0008270 GO:0008353 GO:0009411 GO:0033683 GO:0046872 GO:0047485 GO:0070911
70.240.4692.260.190.512x5nA GO:0000502 GO:0005634 GO:0005829 GO:0006511 GO:0008540 GO:0036435 GO:0043161 GO:0043248 GO:0045842
80.180.5113.630.130.614cn9A GO:0046872
90.150.5494.070.100.673jbrF GO:0005244 GO:0005262 GO:0006810 GO:0006811 GO:0006816 GO:0016020 GO:0016021 GO:0034765 GO:0046872 GO:0070588
100.130.4852.580.150.544f1jA GO:0046872
110.120.4692.980.110.534hqoB GO:0016020 GO:0016021 GO:0046872
120.080.4712.710.150.531n9zA GO:0001948 GO:0005615 GO:0005886 GO:0007155 GO:0007229 GO:0008305 GO:0009986 GO:0010668 GO:0016020 GO:0016021 GO:0030198 GO:0034142 GO:0046872 GO:0050900 GO:0070062
130.080.4572.670.140.513qa3I GO:0001948 GO:0005615 GO:0005886 GO:0007155 GO:0007229 GO:0008305 GO:0009986 GO:0010668 GO:0016020 GO:0016021 GO:0030198 GO:0034142 GO:0046872 GO:0050900 GO:0070062
140.080.4752.800.150.533n2nA GO:0004872 GO:0004888 GO:0005518 GO:0005886 GO:0007165 GO:0009986 GO:0010008 GO:0016020 GO:0016021 GO:0022414 GO:0031258 GO:0031527 GO:0031532 GO:0034446 GO:0042995 GO:0046872 GO:0051015 GO:0070062
150.070.5063.490.120.603txaA GO:0016020 GO:0016021 GO:0046872
160.070.5203.550.120.622ww8A GO:0016020 GO:0016021
170.070.5114.340.130.643efoB GO:0000139 GO:0001701 GO:0002474 GO:0005737 GO:0005783 GO:0005789 GO:0005794 GO:0005829 GO:0006810 GO:0006886 GO:0006888 GO:0008270 GO:0012507 GO:0015031 GO:0016020 GO:0016192 GO:0019886 GO:0030127 GO:0048208 GO:0048471
180.060.4035.630.080.601npdB GO:0000166 GO:0004764 GO:0008652 GO:0009073 GO:0009423 GO:0016491 GO:0030266 GO:0050661 GO:0051287 GO:0052733 GO:0052734 GO:0055114
190.060.3656.380.070.593mjmA GO:0004151 GO:0006221 GO:0008270 GO:0016787 GO:0016812 GO:0019856 GO:0044205 GO:0046872
200.060.3615.070.060.523c3yA GO:0008168 GO:0008171 GO:0016740 GO:0032259 GO:0042409 GO:0046872
210.060.4165.630.080.614l4xA GO:0000166 GO:0003824 GO:0008152 GO:0016740 GO:0031177 GO:0048037
220.060.3676.110.050.592h6eA GO:0004022 GO:0008270 GO:0016491 GO:0046872 GO:0055114
230.060.3454.260.030.452k5uA GO:0000166 GO:0003924 GO:0005525 GO:0005622 GO:0005794 GO:0006810 GO:0006888 GO:0006893 GO:0007264 GO:0015031 GO:0016192 GO:0016236
240.060.3895.820.070.602bklB GO:0004252 GO:0006508 GO:0008236 GO:0070008
250.060.3255.750.050.484lk3B GO:0005739 GO:0005794 GO:0016020 GO:0016021 GO:0016829 GO:0016831 GO:0032580 GO:0033320 GO:0042803 GO:0048040 GO:0051262 GO:0070062 GO:0070403


Consensus prediction of GO terms
 
Molecular Function GO:0043130 GO:0046914 GO:0004842 GO:0000988 GO:0061659 GO:0098639 GO:0005102 GO:0019903
GO-Score 0.53 0.52 0.52 0.52 0.52 0.39 0.39 0.39
Biological Processes GO:0006511 GO:0043623 GO:0010498 GO:0032446 GO:0006357 GO:0033554 GO:0006259 GO:0006936 GO:0007229 GO:0030198 GO:0042059 GO:0043525 GO:0042311 GO:0007160 GO:0032516 GO:0030593 GO:0000187 GO:0048812 GO:0008285 GO:0045123
GO-Score 0.53 0.53 0.53 0.52 0.52 0.52 0.52 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39
Cellular Component GO:0005838 GO:0032806 GO:0090575 GO:0000109 GO:0016591 GO:0005925 GO:0034665 GO:0045121 GO:0001669 GO:0070062 GO:0043204 GO:0045178 GO:0009897 GO:0043005
GO-Score 0.53 0.52 0.52 0.52 0.52 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39

(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.