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I-TASSER results for job id Rv1548c

[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
10.15 7 5ak1A CA Rep, Mult 220,222,260,341
20.07 3 1af0A CA Rep, Mult 551,552,553,559,571,576,577,589
30.04 2 3huzP MG Rep, Mult 574,576
40.02 1 2g38B MN Rep, Mult 149,152,153
50.02 1 1ofeA ONL Rep, Mult 489,504,505,530,545,546,547
60.02 1 1rzoD GAL Rep, Mult 357,480
70.02 1 5la0A ARA Rep, Mult 254,263,264,339
80.02 1 3huxP MG Rep, Mult 576,587
90.02 1 3ca5A NAG Rep, Mult 357,406,409,480
100.02 1 2z8xA CA Rep, Mult 614,630,632,633
110.02 1 1ktwA CA Rep, Mult 362,398,400
120.02 1 2y8kA NA Rep, Mult 236,239,240,241,242,250,251,252
130.02 1 3a23B GAL Rep, Mult 453,455,464,472
140.02 1 3n85A UUU Rep, Mult 334,336

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
10.0603lxuX0.3158.200.0620.5043.4.14.10270
20.0601a1qA0.1135.630.0520.1493.4.21.98270
30.0602uv8G0.3258.380.0290.5382.3.1.86NA
40.0602je8B0.3438.540.0450.5833.2.1.25NA
50.0603b9jI0.1255.470.0270.1621.17.1.4,1.17.3.2312
60.0602vkzG0.3208.460.0420.5192.3.1.38,3.1.2.14220
70.0601bxrA0.3368.220.0380.5466.3.5.5223,232
80.0601fo4A0.3288.140.0480.5321.17.1.4NA
90.0603h0gA0.3128.330.0520.5122.7.7.6NA
100.0603ffzA0.3328.360.0250.5533.4.24.69NA
110.0603b9jJ0.1746.410.0500.2431.17.1.4,1.17.3.2361
120.0601e1yA0.3138.420.0390.5182.4.1.1NA
130.0602vdcA0.3538.770.0390.6031.4.1.13NA
140.0601ea0A0.3528.470.0310.5871.4.1.1368
150.0602r7oA0.3138.110.0450.5012.7.7.48431
160.0601cu1A0.3118.020.0550.4973.6.1.15NA
170.0601fa9A0.2838.250.0430.4632.4.1.1NA
180.0608ohmA0.2156.850.0720.3052.7.7.48NA
190.0603gpbA0.3118.480.0430.5162.4.1.1NA

(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
00.300.9093.130.100.995ak1A GO:0000272 GO:0004553 GO:0005975 GO:0030246 GO:0046872
10.060.2807.870.050.445awoA GO:0003824 GO:0004553 GO:0005975 GO:0030246
20.060.2405.790.030.313zm8A GO:0004553 GO:0005975 GO:0006080 GO:0008152 GO:0016787 GO:0016798 GO:0016985 GO:0030246 GO:0046872
30.060.2067.240.020.313vsfC GO:0000272 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0030246
40.060.2376.660.050.341a0eA GO:0000287 GO:0005737 GO:0005975 GO:0006098 GO:0009045 GO:0016853 GO:0042732 GO:0046872
50.060.2367.480.040.363c7gA GO:0000272 GO:0004553 GO:0005576 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0030246 GO:0045493 GO:0046556 GO:0046872
60.060.2154.320.060.263pzvA GO:0000272 GO:0004553 GO:0005975 GO:0008152 GO:0008810 GO:0016787 GO:0016798 GO:0030245 GO:0030246 GO:0030248
70.060.2194.450.070.265a8mA GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798
80.060.2214.550.050.272jepA GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0033946
90.060.2174.910.080.275fipB GO:0004553 GO:0005975 GO:0008152 GO:0008810 GO:0016020 GO:0016021 GO:0016787 GO:0016798 GO:0030245
100.060.2184.900.070.274xzbA GO:0003860 GO:0004553 GO:0005975 GO:0008152 GO:0016020 GO:0016021 GO:0016787 GO:0016798
110.060.1797.240.050.272hihA GO:0004620 GO:0004806 GO:0005509 GO:0005576 GO:0006629 GO:0008970 GO:0016020 GO:0016042 GO:0016787 GO:0019433 GO:0034638 GO:0046872 GO:0052739 GO:0052740
120.060.1985.230.040.253amdB GO:0004553 GO:0005576 GO:0005975 GO:0006073 GO:0008152 GO:0008422 GO:0009251 GO:0009986 GO:0016787 GO:0016798
130.060.2184.520.060.261egzA GO:0000272 GO:0004553 GO:0005576 GO:0005975 GO:0008152 GO:0008810 GO:0016787 GO:0016798 GO:0030245 GO:0030246
140.060.2064.640.060.252cksB GO:0000272 GO:0004553 GO:0005975 GO:0008152 GO:0008810 GO:0016787 GO:0016798 GO:0030245 GO:0030246 GO:0030247
150.060.2164.430.100.261tvnA GO:0004553 GO:0005509 GO:0005576 GO:0005975 GO:0007155 GO:0008152 GO:0008810 GO:0016787 GO:0016798 GO:0030246
160.060.2085.500.050.274im4A GO:0000272 GO:0003824 GO:0004553 GO:0005576 GO:0005975 GO:0008152 GO:0008810 GO:0016787 GO:0016798 GO:0030245 GO:0030248 GO:0045493 GO:0046555 GO:0046872 GO:2000884
170.060.1547.140.020.234yh7A GO:0004721 GO:0004725 GO:0005102 GO:0006470 GO:0007157 GO:0016020 GO:0016021 GO:0016311 GO:0016787 GO:0016791 GO:0030182 GO:0035335 GO:0046426 GO:0050775 GO:0050776 GO:0050839 GO:0097105
180.060.1747.330.050.271zl0A GO:0004180 GO:0005737 GO:0006508 GO:0008233 GO:0008236 GO:0008360 GO:0009252 GO:0009254 GO:0016787 GO:0071555


Consensus prediction of GO terms
 
Molecular Function GO:0030246 GO:0004553 GO:0046872
GO-Score 0.43 0.43 0.39
Biological Processes GO:0000272
GO-Score 0.35
Cellular Component GO:0005737
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.