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I-TASSER results for job id Rv2734

[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
10.20 9 4rh1A SF4 Rep, Mult 20,27,30,32,119
20.16 7 4fhcA EEM Rep, Mult 29,30,31,32,84,87,88,117,119,142,166,168,169,224,226
30.02 1 3as0A SAU Rep, Mult 169,170,188,189,190,192
40.02 1 2xsjC UUU Rep, Mult 26,27
50.02 1 1tgvB 5UD Rep, Mult 90,91
60.02 1 3as2A POY Rep, Mult 140,142,145,153,154,155,156
70.02 1 1h4pA UUU Rep, Mult 153,205,208,209,212
80.02 1 3fidA ZN Rep, Mult 88,118
90.02 1 2pc8A BGC Rep, Mult 107,112,113,138

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
10.0601zjaA0.5305.480.0720.8105.4.99.11NA
20.0601wcgA0.5315.340.0530.7993.2.1.147NA
30.0601fhlA0.5314.430.0600.7363.2.1.89NA
40.0601m53A0.5415.270.0640.8135.4.99.12NA
50.0602bhzA0.5365.120.0510.7993.2.1.141NA
60.0601bgaA0.5265.330.0570.7823.2.1.2170
70.0601g5aA0.5405.220.0640.8062.4.1.4NA
80.0602zicA0.5305.300.0510.8033.2.1.70NA
90.0601fa2A0.5304.480.0390.7183.2.1.2NA
100.0601e1eB0.5255.000.0510.7573.2.1.21NA
110.0602vr5A0.5305.380.0450.7993.2.1.-NA
120.0601kfwA0.5664.930.0570.8033.2.1.14NA
130.0603cb8A0.5853.860.0750.7501.97.1.4NA
140.0601v03A0.5335.290.0470.7923.2.1.21NA
150.0601qbaA0.5414.590.0750.7503.2.1.52NA
160.0601edqA0.5674.900.0370.8033.2.1.14NA
170.0602zidA0.5305.250.0560.7993.2.1.70144,247
180.0603gbdA0.5405.310.0510.8135.4.99.11NA
190.0601c7sA0.5424.600.0800.7533.2.1.52NA

(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
00.180.7123.210.120.844fhcA GO:0003913 GO:0016829 GO:0046872 GO:0051536 GO:0051539
10.130.5784.000.100.753c8fA GO:0003824 GO:0005737 GO:0005829 GO:0005975 GO:0006006 GO:0006974 GO:0016491 GO:0018307 GO:0043365 GO:0046872 GO:0051536 GO:0051539 GO:0055114
20.070.5734.950.050.823b9eA GO:0004553 GO:0004568 GO:0005576 GO:0005975 GO:0006032 GO:0008152 GO:0016787 GO:0016798 GO:0030246
30.070.5674.900.040.801edqA GO:0004553 GO:0004568 GO:0005975 GO:0006032 GO:0008152 GO:0016787 GO:0016798
40.070.5695.120.060.833qokA GO:0004553 GO:0004568 GO:0005975 GO:0006032 GO:0008152 GO:0016787 GO:0016798
50.070.5774.650.060.801itxA GO:0000272 GO:0004553 GO:0004568 GO:0005576 GO:0005975 GO:0006032 GO:0008152 GO:0016787 GO:0016798 GO:0030246
60.070.5634.760.090.804a5qA GO:0004553 GO:0004568 GO:0005975 GO:0006032
70.070.5664.930.060.801kfwA GO:0004553 GO:0004568 GO:0005576 GO:0005975 GO:0006032 GO:0008152 GO:0016787 GO:0016798 GO:0030246
80.070.5665.110.050.824lgxA GO:0004553 GO:0004568 GO:0005975 GO:0006032 GO:0008152 GO:0016787 GO:0016798
90.070.5444.530.050.751vf8A GO:0000272 GO:0004553 GO:0004563 GO:0004568 GO:0005576 GO:0005634 GO:0005635 GO:0005737 GO:0005783 GO:0005975 GO:0006032 GO:0006954 GO:0008061 GO:0008152 GO:0016023 GO:0016787 GO:0016798 GO:0030246 GO:0048237
100.070.5484.590.070.763w4rA GO:0004553 GO:0004568 GO:0005576 GO:0005975 GO:0006030 GO:0006032 GO:0008061 GO:0008152 GO:0016787 GO:0016798
110.070.5284.890.050.754w5uB GO:0004553 GO:0004568 GO:0005975 GO:0006032
120.070.5424.580.070.751hjvA GO:0004553 GO:0004568 GO:0005201 GO:0005576 GO:0005578 GO:0005615 GO:0005737 GO:0005783 GO:0005975 GO:0006032 GO:0006915 GO:0006954 GO:0007250 GO:0008061 GO:0009612 GO:0010800 GO:0030246 GO:0030324 GO:0034612 GO:0045766 GO:0048471 GO:0051216 GO:0051897 GO:0070062 GO:0070374 GO:0070555 GO:0070741 GO:0071347 GO:0071356 GO:0072606
130.070.5334.730.080.753aquA GO:0004553 GO:0004568 GO:0005576 GO:0005618 GO:0005975 GO:0006032 GO:0008061 GO:0008843 GO:0009651 GO:0009737 GO:0009753 GO:0035885
140.070.5424.530.090.742aosA GO:0004553 GO:0004568 GO:0005576 GO:0005615 GO:0005737 GO:0005783 GO:0005975 GO:0006032 GO:0006915 GO:0006954 GO:0007250 GO:0008061 GO:0009612 GO:0010800 GO:0030246 GO:0030324 GO:0034612 GO:0045766 GO:0048471 GO:0051897 GO:0070374 GO:0070555 GO:0070741 GO:0071356 GO:0072606
150.070.5394.780.040.761jndA GO:0004553 GO:0004568 GO:0005576 GO:0005975 GO:0006032 GO:0007275 GO:0007444 GO:0008061 GO:0008084
160.070.5414.560.080.743fxyA GO:0000272 GO:0002376 GO:0002532 GO:0003796 GO:0004553 GO:0004568 GO:0005576 GO:0005615 GO:0005737 GO:0005975 GO:0006030 GO:0006032 GO:0006037 GO:0006915 GO:0006954 GO:0006955 GO:0007586 GO:0008061 GO:0008152 GO:0009620 GO:0016787 GO:0016798 GO:0019900 GO:0030246 GO:0090197
170.070.5404.590.040.754mnmA GO:0004553 GO:0004568 GO:0005975 GO:0006032
180.070.5334.670.090.754wiwD GO:0004553 GO:0004568 GO:0005975 GO:0006032 GO:0016787 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0043169 GO:0051540 GO:0004553 GO:0016830
GO-Score 0.56 0.56 0.37 0.35
Biological Processes GO:0044238 GO:1901072 GO:0006030 GO:0006026
GO-Score 0.50 0.37 0.37 0.37
Cellular Component GO:0005829 GO:0005576
GO-Score 0.13 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.