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I-TASSER results for job id Rv1065

[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
10.43 36 3elnA 2CO Rep, Mult 55,57,71,82,84,89,91,139,141,153,155,180
20.25 20 3eqeA FE Rep, Mult 82,84,139,155
30.09 13 2cgoA FUM Rep, Mult 55,71,79,82,91,98,139,141,153
40.03 4 2ic1A CYS Rep, Mult 26,119,128,129,130,131

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
10.0671yfxA0.5592.750.0850.6811.13.11.675,79,181
20.0601upiA0.4884.240.0800.6545.1.3.13NA
30.0601wltA0.4823.760.0790.6445.1.3.13NA
40.0601gp6A0.5194.290.0630.7291.14.11.19NA
50.0601ep0A0.4803.860.0780.6285.1.3.13NA
60.0602a1xA0.5274.610.0870.7611.14.11.18NA
70.0601epzA0.4803.980.0790.6335.1.3.13NA
80.0602qnkA0.5303.480.1120.6751.13.11.671,94
90.0601uw8A0.5774.290.1020.7714.1.1.2NA
100.0603kv4A0.5634.070.0840.7501.14.11.27130
110.0602et6A0.4645.050.0120.7661.1.1.-NA
120.0603balD0.5033.360.0590.6381.13.11.50NA
130.0603elnA0.8931.260.1480.9361.13.11.2082,91,156,158
140.0601uofA0.4763.960.0810.6751.14.20.1NA
150.0601pmiA0.4974.100.0250.6545.3.1.8NA
160.0601ywkA0.4893.950.0790.6545.3.1.1761
170.0603eqeA0.6762.220.2080.7611.13.11.2071,82,93
180.0602ixhA0.4833.730.0650.6225.1.3.1382,131,133
190.0601fi2A0.5283.530.0860.6601.2.3.4134
200.0603h1mA0.4873.970.0520.6385.3.1.8NA

(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
00.480.8931.260.150.943elnA GO:0000097 GO:0005506 GO:0005829 GO:0006534 GO:0007595 GO:0008198 GO:0010243 GO:0016491 GO:0016702 GO:0017172 GO:0019448 GO:0019451 GO:0033762 GO:0042412 GO:0043200 GO:0045471 GO:0046439 GO:0046872 GO:0051213 GO:0051384 GO:0051591 GO:0055114
10.350.6972.050.210.783eqeA GO:0000097 GO:0005506 GO:0005829 GO:0016491 GO:0016702 GO:0017172 GO:0019451 GO:0042412 GO:0046872 GO:0051213 GO:0055114
20.300.8051.980.150.904qmaA GO:0005506 GO:0016702 GO:0046872 GO:0051213 GO:0055114
30.220.5952.840.130.711lr5A GO:0004872 GO:0005783 GO:0005788 GO:0008270 GO:0009734 GO:0010011 GO:0046872
40.180.5212.830.090.623ht2A GO:0016301 GO:0016310 GO:0046872
50.180.5653.480.120.704b29A GO:0046872 GO:0047869
60.070.6044.260.070.824nhyA GO:0005506 GO:0005634 GO:0005737 GO:0006449 GO:0008283 GO:0010494 GO:0016491 GO:0016705 GO:0016706 GO:0018126 GO:0019511 GO:0031418 GO:0031543 GO:0031544 GO:0034063 GO:0046872 GO:0051213 GO:0055114
70.070.6054.230.050.813kt4A GO:0000288 GO:0005506 GO:0005634 GO:0005737 GO:0006307 GO:0006415 GO:0006449 GO:0008143 GO:0008198 GO:0016491 GO:0016705 GO:0016706 GO:0018188 GO:0031418 GO:0031543 GO:0035511 GO:0035516 GO:0046872 GO:0051213 GO:0055114 GO:0070989
80.070.5363.850.090.714bqxA GO:0001666 GO:0005506 GO:0005634 GO:0005737 GO:0005829 GO:0016491 GO:0016705 GO:0016706 GO:0018401 GO:0019899 GO:0030821 GO:0031418 GO:0031543 GO:0031545 GO:0032364 GO:0043433 GO:0045765 GO:0046872 GO:0051213 GO:0051344 GO:0055008 GO:0055114 GO:0060347 GO:0060412 GO:0060711 GO:0061418 GO:0071731
90.070.5493.340.080.691zvfA GO:0000334 GO:0005506 GO:0005634 GO:0005737 GO:0006569 GO:0008198 GO:0009435 GO:0016491 GO:0019363 GO:0019805 GO:0034354 GO:0043420 GO:0046872 GO:0046874 GO:0051213 GO:0055114
100.070.5273.870.120.704iw3A GO:0005506 GO:0016491 GO:0016705 GO:0031418 GO:0046872 GO:0055114
110.070.5304.120.080.724kbzA GO:0001666 GO:0005506 GO:0005634 GO:0005737 GO:0005829 GO:0016491 GO:0016705 GO:0016706 GO:0018401 GO:0019899 GO:0030821 GO:0031418 GO:0031543 GO:0031545 GO:0032364 GO:0043433 GO:0045765 GO:0046872 GO:0051213 GO:0051344 GO:0055008 GO:0055114 GO:0060347 GO:0060412 GO:0060711 GO:0061418 GO:0071731
120.070.5104.100.110.684j25A GO:0005506 GO:0016491 GO:0016705 GO:0031418 GO:0046872 GO:0055114
130.070.5154.230.090.705a3uA GO:0001666 GO:0005506 GO:0005634 GO:0005737 GO:0005829 GO:0016491 GO:0016705 GO:0016706 GO:0018401 GO:0019899 GO:0030821 GO:0031418 GO:0031543 GO:0031545 GO:0032364 GO:0043433 GO:0045765 GO:0046872 GO:0051213 GO:0051344 GO:0055008 GO:0055114 GO:0060347 GO:0060412 GO:0060711 GO:0061418 GO:0071731
140.070.5633.430.080.712h0vA GO:0008127 GO:0016491 GO:0046872 GO:0051213 GO:0055114
150.070.4782.090.140.533h50A GO:0046872
160.060.3435.640.050.631fgxB GO:0000138 GO:0002064 GO:0002526 GO:0003831 GO:0003945 GO:0004461 GO:0005576 GO:0005615 GO:0005794 GO:0005886 GO:0005975 GO:0005989 GO:0006012 GO:0006486 GO:0006487 GO:0007155 GO:0007339 GO:0007341 GO:0008092 GO:0008285 GO:0008378 GO:0009101 GO:0009312 GO:0009897 GO:0009986 GO:0016020 GO:0016021 GO:0016323 GO:0016740 GO:0016757 GO:0030057 GO:0030112 GO:0030145 GO:0030175 GO:0030198 GO:0030879 GO:0031526 GO:0032580 GO:0035250 GO:0042060 GO:0042127 GO:0042803 GO:0042995 GO:0043014 GO:0043065 GO:0045136 GO:0046872 GO:0048487 GO:0048754 GO:0050900 GO:0051270 GO:0060046 GO:0060054 GO:0060055 GO:0060058 GO:0070062
170.060.3365.790.050.624f7kA GO:0005507 GO:0016491 GO:0052716 GO:0055114
180.060.6014.140.050.804nhkA GO:0000288 GO:0005506 GO:0005634 GO:0005737 GO:0006307 GO:0006415 GO:0006449 GO:0008143 GO:0008198 GO:0016491 GO:0016705 GO:0016706 GO:0018188 GO:0031418 GO:0031543 GO:0035511 GO:0035516 GO:0046872 GO:0051213 GO:0055114 GO:0070989
190.060.3615.510.070.641wp9A GO:0000166 GO:0003676 GO:0003677 GO:0004386 GO:0004518 GO:0005524 GO:0006259 GO:0006281 GO:0046872 GO:0090305
200.060.3145.670.030.571sdjA GO:0003824 GO:0009058 GO:0016853
210.060.2665.440.030.461xm7A


Consensus prediction of GO terms
 
Molecular Function GO:0017172 GO:0008198 GO:0060089 GO:0042562 GO:0016772
GO-Score 0.66 0.48 0.44 0.44 0.36
Biological Processes GO:0055114 GO:0019451 GO:0042412 GO:0000097 GO:0043200 GO:0006534 GO:0051384 GO:0007595 GO:0051591 GO:0045471 GO:0033762 GO:0071365 GO:0009755 GO:0006796
GO-Score 0.77 0.66 0.66 0.66 0.48 0.48 0.48 0.48 0.48 0.48 0.48 0.44 0.44 0.36
Cellular Component GO:0005829 GO:0070013 GO:0044432
GO-Score 0.66 0.44 0.44

(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.