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I-TASSER results for job id Rv1063c

[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
10.10 5 2atiA IHU Rep, Mult 34,35,38,39
20.06 3 2iegA FRY Rep, Mult 18,19,20,34,38,342
30.06 3 3m0kA MN Rep, Mult 58,126,160,166
40.04 2 1puuB GOL Rep, Mult 120,174
50.04 2 2gm9A 3TH Rep, Mult 27,31,34,191,316
60.02 1 1rkuB MG Rep, Mult 22,166
70.02 1 1gfzA CFF Rep, Mult 135,146,159,161,162
80.02 1 4pkbA MAY Rep, Mult 23,24,25,52,53,148,166,323
90.02 1 2bx2L MG Rep, Mult 126,166
100.02 1 1sjnC DUP Rep, Mult 27,33
110.02 1 2wse1 CLA Rep, Mult 49,54
120.02 1 2zhcA MG Rep, Mult 166,167
130.02 1 3bd7A CKB Rep, Mult 62,64,65,66
140.02 1 2atiA IHU Rep, Mult 147,149,150

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
10.0603ezoA0.3893.730.1160.4782.3.1.3923
20.0601t8rA0.3985.560.0640.5923.2.2.4NA
30.0601e1yA0.4276.140.0680.6612.4.1.1NA
40.0602vz9B0.3536.340.0650.5722.3.1.85NA
50.0602qllA0.3287.430.0560.6032.4.1.1NA
60.0601g5aA0.3926.670.0550.6442.4.1.4114
70.0602vncB0.3626.810.0270.5943.2.1.-NA
80.0601qleA0.4046.830.0500.6861.9.3.1NA
90.0601zedA0.4116.840.0510.7083.1.3.1NA
100.0601nm2A0.3874.390.1590.5062.3.1.39NA
110.0601fa9A0.3297.480.0490.6112.4.1.1NA
120.0601zefA0.4126.800.0410.7033.1.3.1NA
130.0602jfdA0.4164.580.1030.5532.3.1.85NA
140.0601ulaA0.3955.470.0650.5752.4.2.1NA
150.0601xmeA0.3947.410.0650.7171.9.3.1NA
160.0602z1qB0.3986.280.0830.6361.3.99.358
170.0601tcuC0.3935.350.0470.5612.4.2.1NA
180.0602qj3B0.4003.990.1100.5032.3.1.39NA
190.0601m56A0.4057.080.0550.7081.9.3.1NA

(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
00.390.6462.150.320.695fyaB GO:0006629 GO:0008152 GO:0009279 GO:0016020 GO:0016021 GO:0016787 GO:0019867
10.240.5174.130.150.644akxB GO:0006629 GO:0008152
20.170.5644.010.160.684akfA GO:0006629 GO:0008152
30.070.6153.980.130.771oxwC GO:0005773 GO:0006629 GO:0006952 GO:0008152 GO:0016042 GO:0016787 GO:0045735
40.070.5774.710.100.745iz5B GO:0004620 GO:0004622 GO:0004623 GO:0005737 GO:0005829 GO:0006629 GO:0006644 GO:0006654 GO:0008152 GO:0008970 GO:0009395 GO:0016020 GO:0016042 GO:0016787 GO:0030659 GO:0031410 GO:0036148 GO:0036149 GO:0036150 GO:0036151 GO:0036152 GO:0046872
50.070.5884.310.120.741cjyA GO:0001542 GO:0001554 GO:0004620 GO:0004622 GO:0004623 GO:0005509 GO:0005544 GO:0005634 GO:0005737 GO:0005743 GO:0005783 GO:0005789 GO:0005794 GO:0005829 GO:0006629 GO:0006644 GO:0006654 GO:0006663 GO:0006690 GO:0007568 GO:0008152 GO:0008284 GO:0008970 GO:0009395 GO:0009408 GO:0009725 GO:0010033 GO:0010226 GO:0010243 GO:0016023 GO:0016042 GO:0016787 GO:0019369 GO:0030501 GO:0031340 GO:0031394 GO:0031410 GO:0031622 GO:0032496 GO:0033280 GO:0035035 GO:0035965 GO:0036148 GO:0036149 GO:0036150 GO:0036151 GO:0036152 GO:0042127 GO:0042542 GO:0042588 GO:0043065 GO:0043129 GO:0043231 GO:0046456 GO:0046697 GO:0046872 GO:0047498 GO:0048471 GO:0050482 GO:0050729 GO:0051384 GO:0051592 GO:0051597 GO:0071236
60.070.5714.610.100.735iz5A GO:0004620 GO:0004622 GO:0004623 GO:0005737 GO:0005829 GO:0006629 GO:0006644 GO:0006654 GO:0008152 GO:0008970 GO:0009395 GO:0016020 GO:0016042 GO:0016787 GO:0030659 GO:0031410 GO:0036148 GO:0036149 GO:0036150 GO:0036151 GO:0036152 GO:0046872
70.070.5505.070.100.725ixcA GO:0004620 GO:0004622 GO:0004623 GO:0005737 GO:0005829 GO:0006629 GO:0006644 GO:0006654 GO:0008152 GO:0008970 GO:0009395 GO:0016020 GO:0016042 GO:0016787 GO:0030659 GO:0031410 GO:0036148 GO:0036149 GO:0036150 GO:0036151 GO:0036152 GO:0046872
80.070.5465.060.100.725izrC GO:0004620 GO:0004622 GO:0004623 GO:0005737 GO:0005829 GO:0006629 GO:0006644 GO:0006654 GO:0008152 GO:0008970 GO:0009395 GO:0016020 GO:0016042 GO:0016787 GO:0030659 GO:0031410 GO:0036148 GO:0036149 GO:0036150 GO:0036151 GO:0036152 GO:0046872
90.070.4724.040.200.574qmkA GO:0006629 GO:0008152
100.060.3946.440.060.633s27H GO:0001666 GO:0005829 GO:0005985 GO:0006970 GO:0009409 GO:0009413 GO:0009414 GO:0009506 GO:0009744 GO:0009749 GO:0010555 GO:0016157 GO:0016740 GO:0016757 GO:0046686 GO:0072708
110.060.3606.660.070.604x6uA GO:0004806 GO:0016787 GO:0046872
120.060.3226.650.080.535aecA GO:0004497 GO:0016491 GO:0016705 GO:0055114
130.060.3336.250.030.531of6A GO:0003824 GO:0003849 GO:0008652 GO:0009058 GO:0009073 GO:0009423 GO:0016740
140.060.2926.260.040.473wstI GO:0005829 GO:0006355 GO:0006479 GO:0008168 GO:0008469 GO:0016740 GO:0019918 GO:0019919 GO:0032259 GO:0034969 GO:0035241 GO:0035242
150.060.3036.570.030.483pfqA
160.060.2587.440.060.484ynnA GO:0004252 GO:0006508 GO:0008233 GO:0016787
170.060.2956.750.070.515aijA GO:0016787 GO:0042802 GO:0046872 GO:0046983
180.060.2727.130.040.484ohiA GO:0000077 GO:0000187 GO:0004721 GO:0004725 GO:0004726 GO:0005070 GO:0005158 GO:0005634 GO:0005737 GO:0005739 GO:0005829 GO:0006470 GO:0006629 GO:0006641 GO:0007173 GO:0007229 GO:0007409 GO:0007420 GO:0007507 GO:0008543 GO:0009755 GO:0009967 GO:0014066 GO:0016303 GO:0016311 GO:0016787 GO:0016791 GO:0019904 GO:0021697 GO:0030168 GO:0030220 GO:0030971 GO:0031295 GO:0031748 GO:0032528 GO:0033277 GO:0033628 GO:0033629 GO:0035264 GO:0035265 GO:0035335 GO:0035855 GO:0036092 GO:0036302 GO:0038127 GO:0040014 GO:0042445 GO:0042593 GO:0043234 GO:0043254 GO:0043274 GO:0043560 GO:0045931 GO:0046676 GO:0046825 GO:0046854 GO:0046887 GO:0046888 GO:0046934 GO:0048008 GO:0048011 GO:0048013 GO:0048015 GO:0048609 GO:0048806 GO:0048839 GO:0048873 GO:0050900 GO:0051428 GO:0051463 GO:0060020 GO:0060125 GO:0060325 GO:0060338 GO:0061582 GO:0070374 GO:2001275


Consensus prediction of GO terms
 
Molecular Function GO:0016787
GO-Score 0.47
Biological Processes GO:0006629
GO-Score 0.67
Cellular Component GO:0016021 GO:0009279
GO-Score 0.39 0.39

(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.