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I-TASSER results for job id Rv1041c

[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
10.23 12 3ja85 ADP Rep, Mult 36,37,38,84,85,86,87,88,89,90
20.04 2 1musA MN Rep, Mult 108,184
30.02 1 2aj4A MG Rep, Mult 67,169
40.02 1 4z90A 4LE Rep, Mult 268,272
50.02 1 3tdvA MG Rep, Mult 133,154
60.02 1 1ofhC PO4 Rep, Mult 233,234,237
70.02 1 1musA MN Rep, Mult 108,240
80.02 1 1brrB ARC Rep, Mult 243,278
90.02 1 1w77A CU Rep, Mult 148,154
100.02 1 3uufA MAN Rep, Mult 130,137
110.02 1 3e2vA MG Rep, Mult 133,184
120.02 1 1wppA ZN Rep, Mult 133,137,184
130.02 1 2qx6A ML1 Rep, Mult 72,150
140.02 1 3ja84 ADP Rep, Mult 163,199,260,261

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
10.0661g8pA0.5924.320.0820.7986.6.1.1236
20.0601itzA0.3815.520.0520.5852.2.1.1234
30.0601gl9B0.4295.630.0690.6625.99.1.3NA
40.0601kqfA0.3926.230.0430.6791.2.1.2NA
50.0601hkiA0.3796.100.0630.6343.2.1.14NA
60.0602zrpA0.3824.850.0400.5333.4.99.37NA
70.0601njgA0.3903.750.0490.4982.7.7.788,91,94,203
80.0601itzB0.3815.510.0520.5852.2.1.1NA
90.0603hhsB0.3826.300.0380.6581.14.18.1NA
100.0603ebgA0.3846.070.0270.6383.4.11.-NA
110.0603iceC0.3945.060.0440.5653.6.1.-NA
120.0601fx0B0.3855.060.0460.5503.6.3.14NA
130.0601fx0A0.4074.570.0510.5543.6.3.14NA
140.0601tueD0.4315.170.0940.6383.6.4.12NA
150.0603b2qA0.3895.420.0590.5783.6.3.14NA
160.0601ixsB0.4164.200.0660.5473.6.4.12NA
170.0602hldK0.4074.490.0610.5503.6.3.14NA
180.0601fuiA0.3866.050.0470.6275.3.1.25NA
190.0601jqoA0.3936.670.0360.6974.1.1.31NA
200.0601nsfA0.4313.740.0690.5443.6.4.6200

(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
00.220.7464.070.100.954r7yA GO:0000166 GO:0003677 GO:0004386 GO:0004519 GO:0005524 GO:0006260 GO:0016539 GO:0016787 GO:0046872 GO:0051301 GO:0090305
10.170.8043.510.090.973ja83 GO:0000166 GO:0000727 GO:0000781 GO:0003677 GO:0003678 GO:0003682 GO:0003688 GO:0004386 GO:0005524 GO:0005634 GO:0005654 GO:0005656 GO:0005737 GO:0006260 GO:0006267 GO:0006270 GO:0006271 GO:0006348 GO:0016787 GO:0016887 GO:0017116 GO:0030466 GO:0031261 GO:0031298 GO:0032508 GO:0033260 GO:0042555
20.160.6613.650.090.824r7zA GO:0000166 GO:0003677 GO:0004519 GO:0005524 GO:0006260 GO:0016539 GO:0046872 GO:0051301 GO:0090305
30.160.7703.640.070.943jc56 GO:0000166 GO:0000727 GO:0003677 GO:0003678 GO:0003688 GO:0004003 GO:0004386 GO:0005524 GO:0005634 GO:0005654 GO:0005656 GO:0005737 GO:0006260 GO:0006267 GO:0006268 GO:0006270 GO:0006271 GO:0007049 GO:0016787 GO:0017116 GO:0031261 GO:0031298 GO:0033260 GO:0042555 GO:0043140 GO:0043142 GO:0097373 GO:1990163
40.140.7713.680.080.963ja84 GO:0000166 GO:0000727 GO:0003677 GO:0003678 GO:0003688 GO:0003697 GO:0004003 GO:0004386 GO:0005524 GO:0005634 GO:0005654 GO:0005656 GO:0005737 GO:0006260 GO:0006267 GO:0006268 GO:0006270 GO:0006271 GO:0007049 GO:0016787 GO:0017116 GO:0031261 GO:0031298 GO:0033260 GO:0042555 GO:0043140 GO:0043142 GO:0043596 GO:0097373 GO:1990163
50.140.7743.690.080.963ja87 GO:0000166 GO:0000727 GO:0000781 GO:0003677 GO:0003678 GO:0003682 GO:0003688 GO:0003697 GO:0004003 GO:0004386 GO:0005524 GO:0005634 GO:0005654 GO:0005656 GO:0005737 GO:0006260 GO:0006267 GO:0006268 GO:0006270 GO:0006271 GO:0006348 GO:0007049 GO:0016787 GO:0017116 GO:0030466 GO:0031261 GO:0031298 GO:0033260 GO:0042555 GO:0043140 GO:0043142 GO:0097373 GO:1990163
60.130.7543.630.060.933jc75 GO:0000166 GO:0000727 GO:0000784 GO:0003677 GO:0003678 GO:0003682 GO:0003688 GO:0003697 GO:0004386 GO:0005524 GO:0005634 GO:0005654 GO:0005656 GO:0005737 GO:0006260 GO:0006267 GO:0006270 GO:0006271 GO:0006343 GO:0006348 GO:0007049 GO:0016787 GO:0017116 GO:0030174 GO:0031261 GO:0031298 GO:0031939 GO:0032508 GO:0033260 GO:0042555
70.130.7443.680.080.923jc77 GO:0000166 GO:0000727 GO:0000781 GO:0003677 GO:0003678 GO:0003682 GO:0003688 GO:0003697 GO:0004003 GO:0004386 GO:0005524 GO:0005634 GO:0005654 GO:0005656 GO:0005737 GO:0006260 GO:0006267 GO:0006268 GO:0006270 GO:0006271 GO:0006348 GO:0007049 GO:0016787 GO:0017116 GO:0030466 GO:0031261 GO:0031298 GO:0033260 GO:0042555 GO:0043140 GO:0043142 GO:0097373 GO:1990163
80.120.7284.370.080.953ja82 GO:0000166 GO:0000727 GO:0003677 GO:0003678 GO:0003682 GO:0003688 GO:0003697 GO:0004386 GO:0005524 GO:0005634 GO:0005654 GO:0005656 GO:0005737 GO:0006260 GO:0006267 GO:0006270 GO:0006271 GO:0006974 GO:0007049 GO:0016787 GO:0017116 GO:0031261 GO:0031298 GO:0032508 GO:0033260 GO:0042555 GO:0046872 GO:1902450
90.120.7184.200.060.943f9vA GO:0000166 GO:0003677 GO:0004386 GO:0005524 GO:0006260 GO:0016787
100.120.7203.850.080.913jc72 GO:0000166 GO:0000727 GO:0003677 GO:0003678 GO:0003682 GO:0003688 GO:0003697 GO:0004386 GO:0005524 GO:0005634 GO:0005654 GO:0005656 GO:0005737 GO:0006260 GO:0006267 GO:0006270 GO:0006271 GO:0006974 GO:0007049 GO:0016787 GO:0017116 GO:0031261 GO:0031298 GO:0032508 GO:0033260 GO:0042555 GO:0046872 GO:1902450
110.120.6863.860.080.873f8tA GO:0000166 GO:0003677 GO:0005524 GO:0006260
120.070.5924.320.080.801g8pA GO:0000166 GO:0005524 GO:0015979 GO:0015995 GO:0016851 GO:0016874 GO:0030494
130.060.4274.310.070.583hteE GO:0000166 GO:0004176 GO:0005524 GO:0005759 GO:0005829 GO:0006457 GO:0006508 GO:0008270 GO:0016032 GO:0016887 GO:0030163 GO:0042802 GO:0043335 GO:0046872 GO:0046983 GO:0051082 GO:0051301 GO:0051704
140.060.3295.260.050.493crvA GO:0000166 GO:0003676 GO:0003677 GO:0004003 GO:0004386 GO:0005524 GO:0006139 GO:0006281 GO:0006351 GO:0006974 GO:0008026 GO:0016787 GO:0016818 GO:0032508 GO:0043139 GO:0046872 GO:0051536 GO:0051539
150.060.2785.310.060.431x6vA GO:0000103 GO:0000166 GO:0001501 GO:0003824 GO:0004020 GO:0004781 GO:0005524 GO:0005829 GO:0008152 GO:0016301 GO:0016310 GO:0016740 GO:0016779 GO:0050428
160.060.2935.380.060.452ax4A GO:0000103 GO:0000166 GO:0001501 GO:0003824 GO:0004020 GO:0004781 GO:0005524 GO:0005829 GO:0007596 GO:0008152 GO:0016301 GO:0016310 GO:0016740 GO:0016779 GO:0050428 GO:0060348
170.060.3055.610.030.475dn8A GO:0000027 GO:0000166 GO:0003924 GO:0005525 GO:0005737 GO:0042254 GO:0043022
180.060.2556.850.020.462o1oA GO:0008299 GO:0016740


Consensus prediction of GO terms
 
Molecular Function GO:0005524 GO:0043138 GO:0009378 GO:0017116 GO:0003688 GO:0044877 GO:0046872 GO:0004519
GO-Score 0.61 0.55 0.55 0.40 0.40 0.35 0.34 0.34
Biological Processes GO:0032508 GO:0000727 GO:0006271 GO:0006270 GO:0006267 GO:0006342 GO:0016539 GO:0051301 GO:0090305
GO-Score 0.55 0.40 0.40 0.40 0.40 0.35 0.34 0.34 0.34
Cellular Component GO:0031298 GO:0031261 GO:0005656 GO:0005737 GO:0042555 GO:0098687
GO-Score 0.40 0.40 0.40 0.40 0.40 0.35

(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.