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I-TASSER results for job id Rv0159c

[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 3 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
10.04 1 1agmA MAN Rep, Mult 446,447,448
20.04 1 3dd5B DEP Rep, Mult 127,169,203,204
30.04 1 5lo9A HEC Rep, Mult 47,51,54,114,117,118,128,129,130,132,139,140,144,147,152,155,159,160,163
40.04 1 1f8rC UUU Rep, Mult 332,335
50.04 1 2wieC CVM Rep, Mult 54,59
60.04 1 2wsc2 CLA Rep, Mult 294,350
70.04 1 3c9hA MG Rep, Mult 171,173,375
80.04 1 1jdbE GLN Rep, Mult 38,39,40,47,48,51
90.04 1 1dlqB LIO Rep, Mult 18,21
100.04 1 1a9x2 III Rep, Mult 40,44,49,50,53,80
110.04 1 2xquB CVM Rep, Mult 43,44
120.04 1 3dc7B MG Rep, Mult 295,296
130.04 1 3eqaA MAN Rep, Mult 151,445,446,447
140.04 1 1a9x1 III Rep, Mult 207,208,210,211,303

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
10.0602j5wA0.3677.500.0430.6241.16.3.1NA
20.0603gm8A0.3747.260.0560.6153.2.1.-NA
30.0601itkB0.3617.400.0450.6111.11.1.6,1.11.1.7NA
40.0603gpbA0.3407.850.0390.6052.4.1.1NA
50.0601q2lA0.3487.150.0660.5643.4.24.55NA
60.0601dmtA0.3886.790.0520.6133.4.24.11304
70.0602dqmA0.3547.260.0320.5813.4.11.2NA
80.0602a4zA0.3577.120.0360.5752.7.1.153301
90.0602pdaA0.3497.670.0400.6001.2.7.1223
100.0601r1jA0.3886.730.0600.6093.4.24.11NA
110.0603epsA0.3497.140.0340.5642.7.11.5213
120.0602eabA0.3637.520.0520.6093.2.1.63NA
130.0602q1fA0.3487.590.0430.5964.2.2.21NA
140.0601ofdA0.3347.740.0490.5771.4.7.1NA
150.0601fa9A0.3387.680.0490.5812.4.1.1NA
160.0603dwbA0.3726.700.0420.5833.4.24.71304
170.0603l4uA0.3527.530.0430.5963.2.1.20,3.2.1.3NA
180.0602vdcA0.3527.450.0320.5941.4.1.13NA
190.0602je8B0.3517.290.0400.5833.2.1.25161

(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
00.060.4282.240.100.464v2kA GO:0009055 GO:0016491 GO:0020037 GO:0042597 GO:0046872 GO:0050338 GO:0055114
10.060.3626.670.020.564fkeA GO:0001525 GO:0001618 GO:0004177 GO:0005737 GO:0005886 GO:0006508 GO:0007275 GO:0008233 GO:0008237 GO:0008270 GO:0016020 GO:0016021 GO:0016032 GO:0016787 GO:0030154 GO:0042277 GO:0043171 GO:0046718 GO:0046872 GO:0070006
20.060.3966.950.040.641l5jA GO:0003723 GO:0003729 GO:0003730 GO:0003994 GO:0005829 GO:0006097 GO:0006099 GO:0006417 GO:0008152 GO:0016829 GO:0019629 GO:0046872 GO:0047456 GO:0051536 GO:0051539
30.060.3846.780.070.614cthA GO:0001822 GO:0002003 GO:0004175 GO:0004222 GO:0005737 GO:0005886 GO:0005887 GO:0005903 GO:0005925 GO:0006508 GO:0006518 GO:0008021 GO:0008233 GO:0008237 GO:0008238 GO:0008270 GO:0016020 GO:0016021 GO:0016787 GO:0019233 GO:0030424 GO:0030425 GO:0042277 GO:0044306 GO:0045202 GO:0046449 GO:0046872 GO:0050435 GO:0070062 GO:0071345 GO:0071492 GO:0071493 GO:0090399
40.060.3197.660.050.551acoA GO:0003994 GO:0005506 GO:0005634 GO:0005739 GO:0006099 GO:0006101 GO:0008152 GO:0016829 GO:0043209 GO:0046872 GO:0051536 GO:0051539
50.060.3896.790.060.614iuwA GO:0004222 GO:0006508 GO:0008237
60.060.3726.700.040.583dwbA GO:0001666 GO:0001921 GO:0003100 GO:0004175 GO:0004222 GO:0005765 GO:0005768 GO:0005769 GO:0005886 GO:0006508 GO:0006915 GO:0007507 GO:0008217 GO:0008233 GO:0008237 GO:0009897 GO:0010613 GO:0010814 GO:0010815 GO:0010816 GO:0016020 GO:0016021 GO:0016485 GO:0016486 GO:0016787 GO:0017046 GO:0019229 GO:0030141 GO:0030819 GO:0031302 GO:0031410 GO:0031982 GO:0033093 GO:0034959 GO:0035994 GO:0042312 GO:0042447 GO:0042493 GO:0042733 GO:0042803 GO:0043583 GO:0045745 GO:0046686 GO:0046872 GO:0048471 GO:0060037 GO:0070062 GO:0070372
70.060.2787.690.040.493ueqA GO:0003824 GO:0005576 GO:0005975 GO:0016740 GO:0016757 GO:0047669
80.060.3926.810.060.623zukA GO:0004222 GO:0005618 GO:0005886 GO:0006508 GO:0008237 GO:0046872
90.060.2587.630.050.454kp2A GO:0003861 GO:0008152 GO:0008652 GO:0009098 GO:0016829 GO:0016836 GO:0046872 GO:0051536 GO:0051539
100.060.2457.110.040.401k7wD GO:0003824 GO:0004056 GO:0005212 GO:0006526 GO:0008652 GO:0016829 GO:0042450
110.060.2546.750.040.404hjwC GO:0001760 GO:0006568 GO:0016787 GO:0046872 GO:1904984
120.060.2737.360.030.464kp1A GO:0003861 GO:0008152 GO:0008652 GO:0009082 GO:0009097 GO:0009098 GO:0016829 GO:0016836 GO:0046872 GO:0047508 GO:0050075 GO:0051536 GO:0051539
130.060.2847.830.020.493loyA
140.060.2317.300.060.382zooA GO:0005507 GO:0006807 GO:0009055 GO:0016491 GO:0020037 GO:0046872 GO:0050421 GO:0055114
150.060.2196.960.020.353vmfB GO:0005737 GO:0006412 GO:0006415 GO:0016149
160.060.2137.080.070.353vqiB GO:0005737 GO:0006810 GO:0006914 GO:0016020 GO:0034045
170.060.2056.460.050.323ocdA GO:0005506 GO:0005507 GO:0009055 GO:0016491 GO:0016669 GO:0016783 GO:0018192 GO:0019417 GO:0020037 GO:0042597 GO:0046872 GO:0046982 GO:0055114 GO:0070069
180.060.1766.480.020.274pchB GO:0005198 GO:0019028


Consensus prediction of GO terms
 
Molecular Function GO:0043169
GO-Score 0.56
Biological Processes GO:0006099 GO:0006417 GO:0043171 GO:0001525 GO:0046718 GO:0030154 GO:0019629 GO:0006097 GO:0050435 GO:0006101 GO:0090399 GO:0071493 GO:0002003 GO:0071345 GO:0019233 GO:0046449 GO:0001822 GO:0071492
GO-Score 0.12 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06
Cellular Component GO:0042597 GO:0005829 GO:0005903 GO:0005634 GO:0008021 GO:0005739 GO:0043209 GO:0030424 GO:0044306 GO:0005887 GO:0030425 GO:0005925 GO:0070062
GO-Score 0.07 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 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.