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I-TASSER results for job id Rv3035

[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
10.18 8 5ealA 5ML Rep, Mult 3,4,18,47,48,49,50,87,102,147,150,166,335
20.12 5 4wjvC III Rep, Mult 3,47,49,86,88,102,197,199,216,239,241,285,334
30.04 2 2i0sB HY1 Rep, Mult 135,136
40.04 2 2yeqA FE Rep, Mult 23,57,60,271
50.02 1 1om6A CA Rep, Mult 255,256,257,259,280,287
60.02 1 3arzA I5I Rep, Mult 166,227,232
70.02 1 2a9cA MO Rep, Mult 139,140
80.02 1 2zyqB TAR Rep, Mult 168,169
90.02 1 3eqnA ZN Rep, Mult 304,353
100.02 1 3hc2A MO Rep, Mult 139,140,238

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
10.2691g72A0.8112.880.1210.9171.1.99.8NA
20.1703fw0A0.5394.560.0980.7174.3.2.5153,208,223
30.0963dr2A0.5114.670.0790.6863.1.1.17NA
40.0912fpcA0.5304.830.0870.7224.3.3.2176
50.0732h47H0.6504.000.0700.8221.4.99.460,90
60.0671madH0.5803.910.0870.7311.4.99.398,151,153,209,244
70.0661rwlA0.5104.410.1460.6582.7.11.154,60
80.0662f10A0.5394.900.0810.7393.2.1.18NA
90.0661vcuB0.5484.860.0770.7533.2.1.18NA
100.0661pjxA0.5064.850.1040.6923.1.8.2NA
110.0661simA0.5574.950.0680.7753.2.1.18NA
120.0661v04A0.5194.400.0930.6833.1.1.2,3.1.8.1NA
130.0601aomB0.7773.140.1080.8971.7.99.1,1.7.2.1NA
140.0601kitA0.5725.060.0760.8003.2.1.18NA
150.0602qr5A0.5984.270.0800.7693.4.19.1NA
160.0602ecfA0.6854.590.0900.9113.4.14.5NA
170.0601z68A0.6515.070.0420.9063.4.21.-181
180.0601ri6A0.6633.770.0920.8173.1.1.3190
190.0601w6sC0.8033.010.1360.9171.1.99.857
200.0602madH0.5964.510.1080.7811.4.99.3203,208,248
210.0601gjqA0.7693.060.1020.8891.7.99.1,1.7.2.1NA
220.0602bixA0.5835.200.0960.8171.14.99.-283,335,339
230.0602gc7A0.6294.210.0740.8111.4.99.3203,208,246,248,250
240.0603c75J0.6284.210.0610.8081.4.99.372,92
250.0601lrwA0.8122.850.1210.9171.1.99.857
260.0602w68C0.2585.410.0490.3723.2.1.18212
270.0602ebsB0.6294.600.0780.8363.2.1.150NA
280.0603g0bB0.6644.800.0600.9033.4.14.5100,107
290.0601orvA0.6744.660.0540.9033.4.14.5181
300.0601k3iA0.6734.450.0860.8751.1.3.9NA
310.0602bklB0.6344.350.0780.8193.4.21.26NA

(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
00.360.8071.870.180.864pk1A GO:0007155 GO:0009279 GO:0016020 GO:0016021 GO:0019867 GO:0042802 GO:0043165 GO:0051205 GO:0071709 GO:1990063
10.290.7882.130.160.864hdjA GO:0009279 GO:0016020 GO:0043165 GO:0051205
20.260.7862.000.150.844immA GO:0009279 GO:0016020 GO:0043165 GO:0046872 GO:0051205
30.190.7742.850.070.895amsA GO:0000027 GO:0005829 GO:0022626 GO:0042273 GO:0051082
40.180.8102.890.120.924aahA GO:0005509 GO:0005886 GO:0015945 GO:0016020 GO:0016491 GO:0016614 GO:0030288 GO:0046872 GO:0052930 GO:0052931 GO:0052932 GO:0052933 GO:0055114
50.170.7413.250.100.872d0vA GO:0005509 GO:0016020 GO:0016614 GO:0030288 GO:0046872 GO:0055114
60.170.8033.010.140.921w6sC GO:0005509 GO:0005886 GO:0015945 GO:0016020 GO:0016491 GO:0016614 GO:0030288 GO:0046872 GO:0052930 GO:0052931 GO:0052932 GO:0052933 GO:0055114
70.170.8112.870.120.924tqoA GO:0005509 GO:0015946 GO:0016020 GO:0016614 GO:0018468 GO:0030288 GO:0046872 GO:0055114
80.170.8122.850.130.924maeA GO:0005509 GO:0016020 GO:0016491 GO:0016614 GO:0052930 GO:0052931 GO:0052932 GO:0052933 GO:0052934 GO:0052935 GO:0052936 GO:0055114
90.170.6163.720.090.764v0mF GO:0005113 GO:0005119 GO:0005813 GO:0005930 GO:0034464 GO:0035058 GO:0036064 GO:0042384 GO:0061512
100.170.8063.130.110.921yiqA GO:0005509 GO:0009055 GO:0016020 GO:0016491 GO:0016614 GO:0020037 GO:0042597 GO:0046872 GO:0055114 GO:0070968
110.160.8033.040.130.914cvbA GO:0046872
120.160.8033.180.120.921kv9A GO:0005509 GO:0009055 GO:0016020 GO:0016491 GO:0016614 GO:0020037 GO:0030288 GO:0042597 GO:0046872 GO:0055114 GO:0070968
130.160.6463.500.110.784yvdA GO:0000398 GO:0000974 GO:0005634 GO:0005654 GO:0005662 GO:0005681 GO:0005730 GO:0006397 GO:0008380 GO:0016607 GO:0031965 GO:0034504 GO:0071011 GO:0071013 GO:0080008 GO:1900087
140.140.7992.980.120.911flgA GO:0005509 GO:0006069 GO:0016020 GO:0016491 GO:0016614 GO:0018468 GO:0030288 GO:0042597 GO:0046872 GO:0052934 GO:0052935 GO:0052936 GO:0055114
150.130.8122.850.120.921lrwA GO:0005509 GO:0015945 GO:0016020 GO:0016491 GO:0016614 GO:0030288 GO:0042597 GO:0046872 GO:0052930 GO:0052931 GO:0052932 GO:0052933 GO:0055114
160.130.6523.420.100.783jb9K GO:0000974 GO:0005634 GO:0005662 GO:0005681 GO:0006397 GO:0008380 GO:0045292 GO:0071011 GO:0071013 GO:0080008
170.130.8043.030.140.911kb0A GO:0005509 GO:0009055 GO:0016020 GO:0016491 GO:0016614 GO:0020037 GO:0030288 GO:0042597 GO:0046872 GO:0055114
180.080.6114.230.100.781yfqA GO:0000778 GO:0005634 GO:0007049 GO:0007094 GO:0033597 GO:0043130 GO:0044774 GO:1990298
190.060.3394.690.090.461itvA GO:0001501 GO:0001503 GO:0001934 GO:0004175 GO:0004222 GO:0004252 GO:0005518 GO:0005576 GO:0005578 GO:0005615 GO:0006508 GO:0007566 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0022617 GO:0030198 GO:0030225 GO:0030574 GO:0031012 GO:0035987 GO:0042802 GO:0043065 GO:0043066 GO:0043388 GO:0045742 GO:0046872 GO:0048013 GO:0050900 GO:0051549 GO:0070062 GO:0090200 GO:1900122 GO:2001243 GO:2001258 GO:2001268
200.060.3305.840.070.491jlnA GO:0001701 GO:0004721 GO:0004725 GO:0005615 GO:0005737 GO:0005886 GO:0006470 GO:0007399 GO:0010633 GO:0016020 GO:0016021 GO:0016311 GO:0016787 GO:0016791 GO:0019901 GO:0030054 GO:0030182 GO:0035335 GO:0038128 GO:0070373
210.060.2766.890.040.474b6eA GO:0000166 GO:0001172 GO:0002020 GO:0003723 GO:0003824 GO:0003968 GO:0004197 GO:0004252 GO:0004386 GO:0005198 GO:0005216 GO:0005524 GO:0005576 GO:0006351 GO:0006355 GO:0006508 GO:0006810 GO:0006811 GO:0008026 GO:0008152 GO:0008233 GO:0008234 GO:0008236 GO:0008270 GO:0016020 GO:0016021 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0017111 GO:0017124 GO:0019012 GO:0019013 GO:0019028 GO:0019031 GO:0019062 GO:0019079 GO:0019087 GO:0020002 GO:0030430 GO:0030683 GO:0033644 GO:0033650 GO:0034220 GO:0039502 GO:0039503 GO:0039520 GO:0039545 GO:0039547 GO:0039563 GO:0039645 GO:0039654 GO:0039663 GO:0039694 GO:0039707 GO:0042025 GO:0042802 GO:0044164 GO:0044165 GO:0044167 GO:0044186 GO:0044191 GO:0044220 GO:0044385 GO:0046718 GO:0046872 GO:0051259 GO:0055036 GO:0060153 GO:0075509 GO:0075512
220.060.3195.990.060.491rpmA GO:0001937 GO:0004721 GO:0004725 GO:0005001 GO:0005737 GO:0005887 GO:0005911 GO:0005913 GO:0006470 GO:0007155 GO:0007156 GO:0007165 GO:0010596 GO:0010842 GO:0016020 GO:0016021 GO:0016311 GO:0016525 GO:0016787 GO:0016791 GO:0030027 GO:0031175 GO:0031290 GO:0035335 GO:0042493 GO:0042802 GO:0045296 GO:0045909 GO:0048471
230.060.2556.500.060.423rd5A


Consensus prediction of GO terms
 
Molecular Function GO:0046872 GO:0042802 GO:0052933
GO-Score 0.39 0.36 0.35
Biological Processes GO:0051205 GO:0043165 GO:0042273 GO:0042255 GO:0007155 GO:0034308
GO-Score 0.66 0.66 0.39 0.39 0.36 0.35
Cellular Component GO:0005840 GO:0044445 GO:1990063 GO:0016021 GO:0042597
GO-Score 0.39 0.39 0.36 0.36 0.35

(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.