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I-TASSER results for job id Rv3026c

[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
10.09 5 3id7A ZN Rep, Mult 101,106,172
20.05 3 5d57A 78M Rep, Mult 273,276,284
30.05 3 2ewwA ATP Rep, Mult 81,104,105,106,107,108,109,226,258
40.03 2 4pr9B PIO Rep, Mult 273,274
50.03 2 1rxcA R1P Rep, Mult 101,144
60.02 1 1a82A MG Rep, Mult 64,106,172
70.02 1 2pywB EDO Rep, Mult 96,208,215,217,218
80.02 1 4xk8L CLA Rep, Mult 19,47
90.02 1 1smyF MG Rep, Mult 99,280
100.02 1 3euhD GLY Rep, Mult 171,172
110.02 1 1oczB HEA Rep, Mult 50,69
120.02 1 4k1cA CA Rep, Mult 264,287
130.02 1 1yxmB ADE Rep, Mult 120,121,142,143,171,203
140.02 1 4f8hC LMD Rep, Mult 282,285
150.02 1 3lu2B ZN Rep, Mult 101,106
160.02 1 1iuqA GOL Rep, Mult 49,50,53
170.02 1 3ak1B EDO Rep, Mult 47,70
180.02 1 2b36F 5PP Rep, Mult 118,119,204,207
190.02 1 3k31A NAD Rep, Mult 120,143,153,154

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
10.0602jfdA0.3306.330.0770.5622.3.1.85117
20.0602o2yC0.4135.030.0520.5821.3.1.9NA
30.0601k30A0.7483.760.1380.9282.3.1.15101,106
40.0603grkB0.4144.880.1050.5791.3.1.9204,207
50.0602qioA0.4154.840.1010.5721.3.1.9204,207
60.0603gr6D0.4154.840.0700.5761.3.1.9NA
70.0602o2sA0.4265.130.0700.6091.3.1.9NA
80.0601uwkA0.4205.690.0560.6484.2.1.49NA
90.0602pffD0.4375.360.0560.6552.3.1.86NA
100.0602dgaA0.4156.160.0680.6783.2.1.21NA
110.0603ce6A0.4146.360.0550.7013.3.1.1NA
120.0601nhdD0.1213.830.0190.1551.3.1.9150
130.0603n58A0.4165.680.0870.6453.3.1.178
140.0602vz9B0.3555.530.0610.5432.3.1.85NA
150.0603h9uC0.4176.120.0560.6883.3.1.1NA
160.0601d7oA0.4115.260.0210.5891.3.1.9138
170.0601yxmA0.4344.690.0770.6091.3.1.38173
180.0602fr0A0.4205.000.0490.5992.3.1.94NA
190.0602ptgB0.3584.790.0400.4971.3.1.9289

(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
00.120.7483.760.140.931k30A GO:0004366 GO:0006629 GO:0006650 GO:0008152 GO:0008654 GO:0009507 GO:0009536 GO:0009570 GO:0016024 GO:0016740 GO:0016746
10.070.4354.890.080.624fc6B GO:0005102 GO:0005777 GO:0005778 GO:0006629 GO:0006631 GO:0006636 GO:0008670 GO:0016491 GO:0019166 GO:0044255 GO:0055114
20.060.4084.820.050.584j1qA GO:0003824 GO:0005737 GO:0008152 GO:0016740 GO:0016746 GO:0016874 GO:0017000 GO:0031177
30.060.3785.680.070.582et6A GO:0003824 GO:0005777 GO:0006629 GO:0006631 GO:0006635 GO:0008152 GO:0016491 GO:0016616 GO:0016829 GO:0016853 GO:0055114
40.060.3925.090.070.574k6cA GO:0000166 GO:0005737 GO:0016491 GO:0018454 GO:0042619 GO:0055114
50.060.3696.410.040.625a2aA GO:0003824 GO:0004556 GO:0005975 GO:0008152 GO:0016020 GO:0016021 GO:0016787 GO:0016798
60.060.3994.680.070.564nbuB GO:0000166 GO:0016491 GO:0055114
70.060.3944.790.060.563ezlA GO:0005737 GO:0016491 GO:0018454 GO:0042619 GO:0055114
80.060.3885.570.070.595d2eA GO:0003824 GO:0008152 GO:0031177
90.060.4004.900.070.573vzpB GO:0005737 GO:0016491 GO:0018454 GO:0042619 GO:0055114
100.060.3804.650.070.535cejA GO:0004316 GO:0006633 GO:0016491 GO:0051287 GO:0055114 GO:0102132
110.060.3915.030.070.571q7bA GO:0004316 GO:0005829 GO:0006629 GO:0006631 GO:0006633 GO:0008610 GO:0009102 GO:0016491 GO:0030497 GO:0042802 GO:0046872 GO:0050661 GO:0051287 GO:0055114 GO:0102132
120.060.3944.820.060.563osuA GO:0004316 GO:0006629 GO:0006631 GO:0006633 GO:0016491 GO:0051287 GO:0055114 GO:0102132
130.060.4024.930.070.574bo4C GO:0004316 GO:0006629 GO:0006631 GO:0006633 GO:0016491 GO:0030497 GO:0050661 GO:0051287 GO:0055114 GO:0102132
140.060.3675.050.010.532obyA GO:0003960 GO:0005829 GO:0006739 GO:0008270 GO:0016491 GO:0042803 GO:0042981 GO:0048038 GO:0055114 GO:0070062 GO:0070402
150.060.3576.340.060.595e5nC GO:0003824 GO:0005737 GO:0008152 GO:0016491 GO:0016740 GO:0016746 GO:0017000 GO:0031177 GO:0055114
160.060.3196.240.030.535bp1A GO:0003824 GO:0008152 GO:0016491 GO:0016740 GO:0016746 GO:0031177 GO:0050111 GO:0055114
170.060.3725.560.060.571zsyA GO:0005634 GO:0005737 GO:0005739 GO:0006629 GO:0006631 GO:0006633 GO:0008270 GO:0016491 GO:0019166 GO:0055114
180.060.3975.130.050.575c37A GO:0001649 GO:0003824 GO:0004312 GO:0004313 GO:0004314 GO:0004315 GO:0004316 GO:0004317 GO:0004319 GO:0004320 GO:0005737 GO:0005739 GO:0005794 GO:0005829 GO:0005886 GO:0005913 GO:0006084 GO:0006629 GO:0006631 GO:0006633 GO:0008144 GO:0008152 GO:0009058 GO:0015939 GO:0016020 GO:0016295 GO:0016296 GO:0016297 GO:0016491 GO:0016740 GO:0016787 GO:0016788 GO:0016829 GO:0019171 GO:0030879 GO:0031177 GO:0031325 GO:0035338 GO:0042470 GO:0042587 GO:0042802 GO:0042803 GO:0044822 GO:0047117 GO:0047451 GO:0055114 GO:0070062 GO:0070402 GO:0071353 GO:0098609 GO:0098641 GO:0102132


Consensus prediction of GO terms
 
Molecular Function GO:0016740
GO-Score 0.36
Biological Processes GO:0044710 GO:0044238 GO:0071704
GO-Score 0.47 0.40 0.38
Cellular Component GO:0009570 GO:0005778
GO-Score 0.12 0.07

(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.