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I-TASSER results for job id Rv3683

[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
10.42 68 3ivdA FE Rep, Mult 58,88,117,118,209,231
20.39 69 4m0vA MN Rep, Mult 58,60,88,231,233
30.00 1 2z06B CO Rep, Mult 58,230,231,232,233,248,250

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
10.0601vjiA0.4825.720.0530.7521.3.1.42NA
20.0603gh4A0.4895.430.0750.7093.2.1.52NA
30.0601q45B0.4365.740.0550.6681.3.1.42NA
40.0601iwpA0.4925.850.0830.7714.2.1.3060
50.0602epoA0.4735.560.0500.7093.2.1.52NA
60.0602vkzG0.4755.740.0530.7302.3.1.38,3.1.2.1487
70.0601kxhA0.4995.390.0620.7273.2.1.183,104
80.0602z1aA0.4764.410.0920.6303.1.3.5253
90.0601kbpA0.5314.190.0800.6713.1.3.2NA
100.0601bwlA0.4895.670.0670.7491.6.99.1NA
110.0602g3mF0.4895.820.0800.7653.2.1.20NA
120.0602zxqA0.4865.680.0430.7463.2.1.97101,103,120
130.0604kbpA0.5324.170.0800.6713.1.3.2190
140.0601warA0.5493.840.1370.6833.1.3.2213,233
150.0602q3rA0.4875.680.0490.7431.3.1.4299,157
160.0602j63A0.4865.710.0820.7214.2.99.18NA
170.0601aqhA0.4995.350.0710.7243.2.1.188
180.0602uv8G0.4745.770.0520.7242.3.1.86NA
190.0602nxfA0.5253.520.1390.6303.6.1.16,3.6.1.53,3.6.1.13NA

(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
00.420.6702.820.110.773rl5A GO:0016787 GO:0046872
10.390.5393.740.130.663d03A GO:0000166 GO:0004115 GO:0016787 GO:0046872
20.380.5443.980.150.673ib7A GO:0000166 GO:0004115 GO:0005506 GO:0005576 GO:0005618 GO:0005737 GO:0005886 GO:0006198 GO:0008199 GO:0008663 GO:0009405 GO:0016020 GO:0016311 GO:0016787 GO:0016791 GO:0030145 GO:0042301 GO:0042545 GO:0046872
30.360.5423.760.140.663av0A GO:0004518 GO:0004519 GO:0004527 GO:0006281 GO:0006302 GO:0006974 GO:0016787 GO:0030145 GO:0042802 GO:0046872 GO:0090305
40.300.5574.380.110.712xmoA GO:0004115 GO:0016787 GO:0046872
50.070.5163.190.140.611uf3A GO:0046872
60.070.5453.490.130.654ltyA GO:0004518 GO:0004519 GO:0004527 GO:0006259 GO:0006260 GO:0006310 GO:0008408 GO:0016787 GO:0046872 GO:0090305
70.070.5593.990.120.704fbkA GO:0000014 GO:0000723 GO:0000724 GO:0000729 GO:0000784 GO:0004518 GO:0004519 GO:0004527 GO:0005634 GO:0006281 GO:0006302 GO:0006303 GO:0006974 GO:0007131 GO:0008310 GO:0008311 GO:0008408 GO:0016787 GO:0030145 GO:0030870 GO:0031573 GO:0034613 GO:0035861 GO:0042138 GO:0051321 GO:1990421 GO:1990918
80.070.5523.670.140.674ykeB GO:0004518 GO:0004519 GO:0004527 GO:0005634 GO:0006281 GO:0006302 GO:0006974 GO:0008408 GO:0016787 GO:0030145 GO:0030870 GO:0046872 GO:0051321 GO:0090305
90.070.5313.650.150.643qg5D GO:0003677 GO:0004518 GO:0004519 GO:0004527 GO:0006259 GO:0006260 GO:0006310 GO:0008408 GO:0016787 GO:0046872 GO:0090305
100.070.5413.490.130.654fcxB GO:0000014 GO:0000723 GO:0000724 GO:0000729 GO:0000784 GO:0004518 GO:0004519 GO:0004527 GO:0005634 GO:0006281 GO:0006302 GO:0006303 GO:0006974 GO:0007131 GO:0008310 GO:0008311 GO:0008408 GO:0016787 GO:0030145 GO:0030870 GO:0031573 GO:0034613 GO:0035861 GO:0042138 GO:0051321 GO:1990421 GO:1990918
110.070.5323.640.110.643dscA GO:0004518 GO:0004519 GO:0004527 GO:0006281 GO:0006302 GO:0006974 GO:0016787 GO:0030145 GO:0042802 GO:0046872 GO:0090305
120.070.5393.790.160.663t1iD GO:0000014 GO:0000019 GO:0000724 GO:0000729 GO:0000731 GO:0000732 GO:0000781 GO:0000784 GO:0000790 GO:0000794 GO:0003677 GO:0003690 GO:0004003 GO:0004518 GO:0004519 GO:0004520 GO:0004527 GO:0005634 GO:0005654 GO:0005694 GO:0005737 GO:0005829 GO:0005913 GO:0006260 GO:0006281 GO:0006302 GO:0006303 GO:0006310 GO:0006974 GO:0007004 GO:0007062 GO:0007095 GO:0007129 GO:0007131 GO:0007507 GO:0008022 GO:0008283 GO:0008408 GO:0016032 GO:0016605 GO:0016787 GO:0030145 GO:0030870 GO:0031573 GO:0031860 GO:0031954 GO:0032206 GO:0032481 GO:0032508 GO:0032876 GO:0033674 GO:0035861 GO:0043066 GO:0046597 GO:0048471 GO:0051276 GO:0051321 GO:0090305 GO:0098609 GO:0098641 GO:1901796
130.070.4645.790.080.723u7vA GO:0004553 GO:0004565 GO:0005975 GO:0008152 GO:0009341 GO:0016787 GO:0016798
140.060.4075.920.060.643bxwA GO:0002376 GO:0004553 GO:0004568 GO:0005576 GO:0005615 GO:0005634 GO:0005764 GO:0005770 GO:0005802 GO:0005975 GO:0006032 GO:0008061 GO:0016020 GO:0045087 GO:0070062 GO:0070492 GO:1900016
150.060.3196.730.060.561pguB GO:0003779 GO:0005737 GO:0005856 GO:0005884 GO:0006970 GO:0030042 GO:0030479 GO:0032466 GO:0051016
160.060.3615.750.110.572a0mA GO:0046872
170.060.2896.500.050.482qmiA
180.060.2845.820.060.443iwaA GO:0005623 GO:0016491 GO:0045454 GO:0050660 GO:0055114
190.060.2825.580.110.454pooA GO:0008168 GO:0032259 GO:0046872 GO:0051536 GO:0051539


Consensus prediction of GO terms
 
Molecular Function GO:0004115 GO:0000166 GO:0030145 GO:0042301 GO:0016791 GO:0008663 GO:0008199 GO:0042802 GO:0004519 GO:0004527
GO-Score 0.73 0.62 0.60 0.38 0.38 0.38 0.38 0.36 0.36 0.36
Biological Processes GO:0009405 GO:0006198 GO:0042545 GO:0016311 GO:0006302 GO:0090305
GO-Score 0.38 0.38 0.38 0.38 0.36 0.36
Cellular Component GO:0005576 GO:0005737 GO:0005618 GO:0005886
GO-Score 0.38 0.38 0.38 0.38

(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.