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I-TASSER results for job id Rv0227c

[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
10.06 3 1a9x1 III Rep, Mult 299,300,303,304,320,321
20.04 2 3prqX CLA Rep, Mult 322,329
30.04 2 1aiyB III Rep, Mult 329,330
40.04 2 5d91A 8K6 Rep, Mult 316,324
50.04 2 1bpyA MG Rep, Mult 37,39
60.02 1 5klgA 6UC Rep, Mult 330,333
70.02 1 1kf6O CE1 Rep, Mult 21,26
80.02 1 1m56D PEH Rep, Mult 9,16
90.02 1 1wavL III Rep, Mult 161,163
100.02 1 1kj1D MAN Rep, Mult 163,165
110.02 1 2w95A NGA Rep, Mult 172,195
120.02 1 1jdbE GLN Rep, Mult 304,305,308,316,317
130.02 1 2ivzA CA Rep, Mult 188,189
140.02 1 1bpyA MG Rep, Mult 37,39,111
150.02 1 2r9rB PGW Rep, Mult 333,337
160.02 1 1eakC III Rep, Mult 151,154,156
170.02 1 1ucnB CA Rep, Mult 335,338
180.02 1 1mz9E VDY Rep, Mult 323,327,330
190.02 1 4ryoA MPG Rep, Mult 299,315,322

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
10.0601k1xA0.3407.530.0680.6012.4.1.25NA
20.0601yq2A0.3726.890.0500.6033.2.1.23NA
30.0602ow6A0.3537.340.0530.6013.2.1.114NA
40.0601kitA0.3447.020.0410.5753.2.1.18NA
50.0602rioA0.3256.940.0560.5372.7.11.1291
60.0603fbvD0.3407.030.0490.5682.7.11.1,291
70.0601bglA0.3657.120.0340.6063.2.1.23NA
80.0602q1fA0.3547.240.0360.6064.2.2.21NA
90.0601hn0A0.3397.310.0430.5774.2.2.20NA
100.0601gytJ0.3437.500.0450.6063.4.11.1NA
110.0601bxrA0.3647.190.0490.6116.3.5.530
120.0601h16A0.3607.250.0450.6112.3.1.54NA
130.0601llwA0.3457.450.0490.6061.4.7.1NA
140.0602c4mC0.3536.890.0560.5842.4.1.1264
150.0603btaA0.3756.690.0350.5963.4.24.69NA
160.0602azdB0.3487.550.0310.6082.4.1.1195,263
170.0601e1yA0.3577.410.0340.6182.4.1.1NA
180.0603gtgB0.3447.370.0490.5892.7.7.6163
190.0601kblA0.3117.470.0390.5342.7.9.1NA

(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
00.070.6165.550.060.844jrfA GO:0046872
10.060.3457.440.050.605bqnA GO:0004222 GO:0005576 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0008320 GO:0009405 GO:0016020 GO:0016021 GO:0016787 GO:0020002 GO:0030430 GO:0033644 GO:0044156 GO:0044164 GO:0044221 GO:0044231 GO:0046872 GO:0050827 GO:0051609 GO:0071806
20.060.3536.710.020.563v0aB GO:0004222 GO:0005576 GO:0006508 GO:0009405 GO:0050827 GO:0051609
30.060.3536.510.070.554q98A GO:0005198 GO:0007155 GO:0009289 GO:0009405
40.060.3357.310.030.572np0A GO:0004222 GO:0005576 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0008320 GO:0009405 GO:0016020 GO:0016021 GO:0016787 GO:0020002 GO:0030430 GO:0033644 GO:0044156 GO:0044164 GO:0044221 GO:0044231 GO:0046872 GO:0050827 GO:0051609 GO:0071806
50.060.3786.670.040.603v0aA GO:0004222 GO:0005576 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0008320 GO:0009405 GO:0016020 GO:0016021 GO:0016787 GO:0020002 GO:0030430 GO:0033644 GO:0044156 GO:0044164 GO:0044221 GO:0044231 GO:0046872 GO:0050827 GO:0051609 GO:0071806
60.060.3557.440.050.613ffzA GO:0004222 GO:0005576 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0008320 GO:0009405 GO:0016020 GO:0016021 GO:0016787 GO:0020002 GO:0030430 GO:0033644 GO:0044156 GO:0044164 GO:0044221 GO:0044231 GO:0046872 GO:0050827 GO:0051609 GO:0071806
70.060.3516.680.020.563vuoA GO:0004222 GO:0005576 GO:0006508 GO:0009405 GO:0050827 GO:0051609
80.060.2677.630.050.483obrA GO:0004222 GO:0005576 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0008320 GO:0009405 GO:0016020 GO:0016021 GO:0016787 GO:0020002 GO:0030430 GO:0033644 GO:0044156 GO:0044164 GO:0044221 GO:0044231 GO:0046872 GO:0050827 GO:0051609 GO:0071806
90.060.2717.710.040.482vxrA GO:0004222 GO:0005576 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0008320 GO:0009405 GO:0016787 GO:0046872 GO:0050827 GO:0051609 GO:0071806
100.060.2446.980.030.401a8dA GO:0004222 GO:0005576 GO:0005829 GO:0005886 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0008320 GO:0009405 GO:0016787 GO:0030666 GO:0030669 GO:0046872 GO:0046929 GO:0050827 GO:0051609 GO:0071806
110.060.2697.620.020.483rsjA GO:0004222 GO:0005576 GO:0006508 GO:0008270 GO:0009405 GO:0050827 GO:0051609
120.060.2628.160.050.503r4sA GO:0004222 GO:0005576 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0009405 GO:0016020 GO:0016021 GO:0016787 GO:0020002 GO:0030430 GO:0033619 GO:0033644 GO:0044156 GO:0044164 GO:0044221 GO:0044231 GO:0045955 GO:0046872 GO:0050827 GO:0051609
130.060.2638.060.030.493azvA GO:0004222 GO:0005576 GO:0006508 GO:0008270 GO:0009405 GO:0050827 GO:0051609
140.060.2276.970.040.374oe8A GO:0001916 GO:0002230 GO:0002323 GO:0002827 GO:0002860 GO:0002862 GO:0004896 GO:0005125 GO:0005126 GO:0005143 GO:0005576 GO:0005615 GO:0005737 GO:0007050 GO:0007166 GO:0008083 GO:0010033 GO:0010224 GO:0010535 GO:0016020 GO:0016477 GO:0019221 GO:0019233 GO:0019953 GO:0030101 GO:0032693 GO:0032700 GO:0032725 GO:0032729 GO:0032733 GO:0032735 GO:0032740 GO:0032760 GO:0032816 GO:0032819 GO:0032946 GO:0034105 GO:0034393 GO:0042035 GO:0042088 GO:0042093 GO:0042095 GO:0042102 GO:0042104 GO:0042164 GO:0042346 GO:0042510 GO:0042517 GO:0042520 GO:0042523 GO:0042802 GO:0042803 GO:0042832 GO:0043382 GO:0043514 GO:0044130 GO:0045078 GO:0045519 GO:0045672 GO:0045785 GO:0046982 GO:0048662 GO:0050671 GO:0050729 GO:0050829 GO:0051135 GO:0051142 GO:0051607 GO:0070743 GO:0071222 GO:0071346 GO:2000318 GO:2000330
150.060.2387.660.030.423mppG GO:0004222 GO:0005576 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0008320 GO:0009405 GO:0016787 GO:0046872 GO:0050827 GO:0051609 GO:0071806
160.060.2377.310.020.411z7hA GO:0004222 GO:0005576 GO:0005829 GO:0005886 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0008320 GO:0009405 GO:0016787 GO:0030666 GO:0030669 GO:0046872 GO:0046929 GO:0050827 GO:0051609 GO:0071806
170.060.2127.070.030.363debA GO:0004222 GO:0005576 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0009405 GO:0016020 GO:0016021 GO:0016787 GO:0020002 GO:0030430 GO:0033619 GO:0033644 GO:0044156 GO:0044164 GO:0044221 GO:0044231 GO:0045955 GO:0046872 GO:0050827 GO:0051609
180.060.2387.000.020.393fieA GO:0004222 GO:0005576 GO:0006508 GO:0008233 GO:0008237 GO:0008270 GO:0008320 GO:0009405 GO:0016020 GO:0016021 GO:0016787 GO:0020002 GO:0030430 GO:0033644 GO:0044156 GO:0044164 GO:0044221 GO:0044231 GO:0046872 GO:0050827 GO:0051609 GO:0071806


Consensus prediction of GO terms
 
Molecular Function GO:0043169 GO:0004175 GO:0005102 GO:0008237
GO-Score 0.37 0.36 0.36 0.36
Biological Processes GO:0051704 GO:0019538 GO:0051581
GO-Score 0.46 0.36 0.36
Cellular Component GO:0005576 GO:0044231 GO:0044164 GO:0044156 GO:0016021 GO:0009289
GO-Score 0.18 0.12 0.12 0.12 0.12 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.