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I-TASSER results for job id Rv3920c

[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 4 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 2xquA CVM Rep, Mult 124,128
20.04 2 1b7yB MG Rep, Mult 57,58,80,83,84
30.04 2 3e5uC 3C4 Rep, Mult 128,131,132
40.04 2 2iefB NUC Rep, Mult 175,180
50.04 2 1smyF MG Rep, Mult 123,177,180
60.04 2 1l9nB CA Rep, Mult 159,160,172
70.04 2 5ccgC CA Rep, Mult 133,136
80.02 1 3d1lA MPR Rep, Mult 131,150
90.02 1 1k9zA ZN Rep, Mult 51,127
100.02 1 3qnfA UUU Rep, Mult 147,172,173,183
110.02 1 3i8gF MG Rep, Mult 87,88
120.02 1 2xquC CVM Rep, Mult 136,139
130.02 1 3ow7A CU1 Rep, Mult 96,151
140.02 1 2a68P MG Rep, Mult 127,130
150.02 1 1ggyB YB Rep, Mult 86,90,123,127
160.02 1 3perB PO4 Rep, Mult 50,63,95,98,114

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
10.0601g8mA0.4085.330.0680.6903.5.4.10,2.1.2.3NA
20.0601gk8A0.4294.910.0700.6744.1.1.39NA
30.0601bxnA0.4154.880.0750.6524.1.1.39NA
40.0602d69A0.4184.780.0500.6474.1.1.39NA
50.0601t3tA0.4715.730.0920.8616.3.5.3NA
60.0601l9mB0.4395.670.0510.7702.3.2.13NA
70.0603ciaA0.4295.630.0170.7703.4.11.-127
80.0602agsA0.4085.800.0410.7593.2.1.1883
90.0602vdcF0.4264.580.0430.6421.4.1.1346
100.0601s0kA0.3645.560.0710.6423.2.1.18NA
110.0602g25A0.4135.700.0540.7381.2.4.1NA
120.0609rubA0.4124.950.0380.6584.1.1.39NA
130.0603ebgA0.4155.340.0410.7063.4.11.-NA
140.0602gtqA0.4106.020.0490.7813.4.11.2NA
150.0601gehA0.4075.080.0760.6524.1.1.39NA
160.0601bxnE0.4154.880.0750.6524.1.1.3977
170.0602dqmA0.4155.700.0510.7593.4.11.2NA
180.0603h09B0.4095.390.0380.6953.4.21.7287
190.0601gehC0.4075.080.0760.6524.1.1.39NA

(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
00.580.9461.100.290.983gkuA GO:0003676
10.070.4944.900.080.763swhB GO:0000149 GO:0005737 GO:0005886 GO:0006887 GO:0007268 GO:0007269 GO:0016020 GO:0016082 GO:0017075 GO:0019904 GO:0019992 GO:0030054 GO:0030154 GO:0030507 GO:0035556 GO:0042734 GO:0042803 GO:0043005 GO:0043195 GO:0043234 GO:0045202 GO:0046872 GO:0046982 GO:0047485 GO:0060076 GO:0060291
20.070.4874.610.070.744ap2B GO:0000082 GO:0000122 GO:0000139 GO:0000165 GO:0000209 GO:0000278 GO:0000902 GO:0001701 GO:0001831 GO:0004842 GO:0005634 GO:0005654 GO:0005737 GO:0005794 GO:0005827 GO:0005829 GO:0006357 GO:0006511 GO:0006513 GO:0006810 GO:0006888 GO:0007050 GO:0007080 GO:0007229 GO:0007369 GO:0008054 GO:0008284 GO:0016020 GO:0016055 GO:0016192 GO:0016477 GO:0016567 GO:0017145 GO:0030030 GO:0030332 GO:0031208 GO:0031461 GO:0031463 GO:0031625 GO:0032467 GO:0035024 GO:0040016 GO:0042787 GO:0042803 GO:0043149 GO:0043161 GO:0044346 GO:0045842 GO:0046982 GO:0048208 GO:0061630 GO:0070062 GO:0072576 GO:0090090 GO:0097193
30.070.4065.380.050.694rl5A GO:0000145 GO:0005576 GO:0005618 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0006810 GO:0006887 GO:0009524 GO:0016020
40.070.4665.330.040.812pftA GO:0000145 GO:0005737 GO:0005815 GO:0005829 GO:0005886 GO:0006810 GO:0006887 GO:0015031 GO:0016020 GO:0032584 GO:0034451 GO:0061024 GO:2000535
50.070.4974.840.060.804rl5B GO:0000145 GO:0005576 GO:0005618 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0006810 GO:0006887 GO:0009524 GO:0016020
60.070.4295.620.050.762hs3A GO:0000166 GO:0000287 GO:0004642 GO:0005524 GO:0005737 GO:0006164 GO:0006189 GO:0006541 GO:0009156 GO:0016874 GO:0046872
70.070.4694.780.090.734jghD GO:0000082 GO:0004842 GO:0004872 GO:0005262 GO:0005829 GO:0006511 GO:0007050 GO:0008283 GO:0008285 GO:0016032 GO:0016567 GO:0031461 GO:0031466 GO:0031625 GO:0038128 GO:0042787 GO:0061630 GO:0070588 GO:0097193
80.070.4534.730.040.704a0kA GO:0000082 GO:0000715 GO:0000717 GO:0001701 GO:0005654 GO:0006281 GO:0006283 GO:0006293 GO:0006294 GO:0006295 GO:0006296 GO:0006511 GO:0006974 GO:0007050 GO:0008284 GO:0008285 GO:0016032 GO:0016567 GO:0030097 GO:0030853 GO:0031461 GO:0031464 GO:0031625 GO:0033683 GO:0035019 GO:0042769 GO:0042787 GO:0043161 GO:0051246 GO:0061630 GO:0070911 GO:0080008 GO:0097193 GO:1900087 GO:2000001 GO:2000819
90.070.4454.750.020.684a0lE GO:0000715 GO:0000717 GO:0003684 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006281 GO:0006283 GO:0006293 GO:0006294 GO:0006295 GO:0006296 GO:0006511 GO:0006974 GO:0007049 GO:0016567 GO:0031175 GO:0031461 GO:0031465 GO:0031625 GO:0033683 GO:0035518 GO:0042769 GO:0042787 GO:0045732 GO:0061630 GO:0070062 GO:0070911 GO:0070914 GO:1900087
100.070.4664.760.090.732wzkA GO:0006511 GO:0016567 GO:0021799 GO:0021942 GO:0031461 GO:0031466 GO:0031625 GO:0042787 GO:0046982 GO:0061630
110.060.4565.230.070.741ldjA GO:0000082 GO:0000086 GO:0000209 GO:0002223 GO:0004842 GO:0005654 GO:0005829 GO:0006511 GO:0006513 GO:0006915 GO:0007050 GO:0008283 GO:0008285 GO:0009887 GO:0016032 GO:0016055 GO:0016567 GO:0019005 GO:0031146 GO:0031461 GO:0031625 GO:0038061 GO:0038095 GO:0042787 GO:0043161 GO:0050852 GO:0051403 GO:0051437 GO:0061630 GO:0097193 GO:1990452
120.060.4115.470.030.724y21A GO:0000149 GO:0005737 GO:0005886 GO:0006887 GO:0007268 GO:0007269 GO:0016020 GO:0016082 GO:0017075 GO:0019904 GO:0019992 GO:0030054 GO:0030154 GO:0030507 GO:0035556 GO:0042734 GO:0042803 GO:0043005 GO:0043195 GO:0043234 GO:0045202 GO:0046872 GO:0046982 GO:0047485 GO:0060076 GO:0060291
130.060.3785.820.040.695a5tC GO:0001731 GO:0003723 GO:0003743 GO:0005737 GO:0005852 GO:0006412 GO:0006413 GO:0006446 GO:0016282 GO:0031369 GO:0033290 GO:0071541
140.060.5065.310.090.862b7mB GO:0000131 GO:0000145 GO:0001927 GO:0005546 GO:0005886 GO:0005933 GO:0005934 GO:0005935 GO:0006810 GO:0006887 GO:0006893 GO:0007266 GO:0015031 GO:0017049 GO:0030133 GO:0031410 GO:0051601 GO:0090522
150.060.4465.500.030.762pfvA GO:0000131 GO:0000145 GO:0001927 GO:0005546 GO:0005886 GO:0005933 GO:0005934 GO:0005935 GO:0006810 GO:0006887 GO:0006893 GO:0007266 GO:0015031 GO:0017049 GO:0030133 GO:0031410 GO:0051601 GO:0090522
160.060.3905.880.110.711r9jB GO:0003824 GO:0004802 GO:0008152 GO:0016740 GO:0046872
170.060.3425.560.070.601f00I GO:0007155 GO:0009279 GO:0009405 GO:0016020 GO:0016021
180.060.4715.820.090.874lgyA GO:0000166 GO:0004642 GO:0005524 GO:0005737 GO:0006164 GO:0006189 GO:0006541 GO:0009156 GO:0016874 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0003676
GO-Score 0.58
Biological Processes GO:0032940 GO:0016192
GO-Score 0.37 0.37
Cellular Component GO:0071944 GO:0044444
GO-Score 0.37 0.37

(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.