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I-TASSER results for job id Rv1148c

[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 2qs8A MG Rep, Mult 68,70,398
20.08 4 2qs8B MG Rep, Mult 68,70,259,398
30.08 4 1k6wA FE Rep, Mult 68,70,320,339,398
40.04 2 3e2rA CIT Rep, Mult 350,468,469,471
50.02 1 3zxsA MG Rep, Mult 174,233
60.02 1 3o7uA ZN Rep, Mult 83,123
70.02 1 3rcyG RIB Rep, Mult 210,211,245
80.02 1 2vosA MG Rep, Mult 195,372
90.02 1 1p1mA MET Rep, Mult 243,244,260,261,291
100.02 1 2jisA PLP Rep, Mult 427,428
110.02 1 3igh0 III Rep, Mult 24,39,40,43,44,219,222,226,249,251,252,253,254,255,306,307
120.02 1 3af5A ZN Rep, Mult 195,196,266,458
130.02 1 3nz4A TCA Rep, Mult 230,237
140.02 1 3o7uA PXN Rep, Mult 199,202,203,206,223

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
10.0672gokA0.5434.280.0960.6683.5.2.7NA
20.0662g3fA0.5374.360.1000.6623.5.2.7NA
30.0661ra0A0.5394.400.0720.6643.5.4.1203,207
40.0602vunD0.4564.200.0870.5603.5.2.18NA
50.0601ie7C0.4615.210.0680.6023.5.1.5372,383
60.0602qt3B0.5363.890.0610.6433.5.99.4319
70.0602oodA0.5284.640.1150.6703.5.4.3367
80.0601kraC0.4635.130.0790.6003.5.1.5405
90.0601e9yB0.4165.870.0640.5913.5.1.5NA
100.0601a5kC0.4645.110.0790.6003.5.1.5NA
110.0602ftwA0.4744.620.0710.5953.5.2.2356
120.0601k6wA0.5394.390.0720.6643.5.4.1NA
130.0602vr2A0.4584.660.0700.5793.5.2.2NA
140.0602uz9A0.5404.400.0790.6703.5.4.3NA
150.0603la4A0.4665.310.0640.6143.5.1.5NA
160.0603e0lA0.5394.300.0770.6663.5.4.3371
170.0602i9uA0.5304.120.0870.6473.5.4.3NA
180.0602qt3A0.5363.900.0640.6433.5.99.4NA
190.0602puzA0.5434.160.1000.6623.5.2.7NA
200.0601onxA0.4764.240.0840.5873.4.19.-NA
210.0603griB0.4664.250.0640.5753.5.2.3301
220.0601p1mA0.5283.740.0870.6273.5.4.28436

(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
00.150.7932.880.130.873ighX GO:0006259 GO:0016810 GO:0016888
10.130.7523.280.140.853icjA GO:0006259 GO:0016810 GO:0016888 GO:0046872
20.130.5384.210.120.662oofA GO:0005506 GO:0005737 GO:0006547 GO:0006548 GO:0008270 GO:0016787 GO:0016810 GO:0016812 GO:0019556 GO:0019557 GO:0046872 GO:0050480
30.070.5434.280.100.672gokA GO:0005506 GO:0005737 GO:0006547 GO:0006548 GO:0008270 GO:0016787 GO:0016810 GO:0016812 GO:0019556 GO:0019557 GO:0046872 GO:0050480
40.070.5394.150.090.664v1xE GO:0005737 GO:0016787 GO:0016810 GO:0018788 GO:0019381 GO:0046872
50.070.5384.290.070.664whbA GO:0016787 GO:0016810
60.070.5263.900.100.633n2cA
70.070.5293.880.100.633mtwA GO:0016787 GO:0016810 GO:0046872
80.070.5343.960.060.644cqbA GO:0005737 GO:0016787 GO:0016810 GO:0018764 GO:0019381 GO:0046872
90.070.5304.190.100.653hpaA
100.070.5263.970.100.633mkvA GO:0016787 GO:0016810 GO:0046872
110.070.5273.750.090.631j6pA GO:0004000 GO:0016787 GO:0016810 GO:0019239 GO:0019700 GO:0046872 GO:0050270 GO:0090614
120.070.5264.030.080.633be7A
130.070.4645.140.080.611m7jA GO:0016787 GO:0016810 GO:0016811 GO:0046872 GO:0047420
140.070.4605.080.070.593ooqF GO:0016787 GO:0016810 GO:0019239
150.070.4714.580.070.593sfwA GO:0005737 GO:0016787 GO:0016810 GO:0046872
160.060.4764.260.090.594bjhA GO:0004151 GO:0006221 GO:0008270 GO:0016787 GO:0016810 GO:0016812 GO:0044205 GO:0046872
170.060.4734.270.060.583griB GO:0004151 GO:0006221 GO:0008270 GO:0016787 GO:0016810 GO:0016812 GO:0044205 GO:0046872
180.060.4744.460.080.591gkpA GO:0005737 GO:0016787 GO:0016810 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0004520 GO:0016893 GO:0016812 GO:0046914
GO-Score 0.52 0.52 0.37 0.37
Biological Processes GO:0090304 GO:0044260 GO:0043606 GO:0006536 GO:0015942 GO:0006548
GO-Score 0.52 0.52 0.37 0.37 0.37 0.37
Cellular Component GO:0044424
GO-Score 0.48

(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.