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I-TASSER results for job id Rv2899c

[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
10.14 7 5cfuA MN Rep, Mult 190,191
20.14 7 1usyB HIS Rep, Mult 192,195
30.08 4 4pe1A DCD Rep, Mult 194,197
40.04 2 4y49A G4P Rep, Mult 199,227
50.02 1 2pw90 III Rep, Mult 6,8,10,11,12,13,14,15,18,21,23,25,26,27,28,44,146,166,167,168,170,188,219,221,222,241,242,243,244,245,247,260,264,265,266,267,268,269
60.02 1 1yq2A MG Rep, Mult 250,254,256
70.02 1 1hn1C NA Rep, Mult 163,166,167,169
80.02 1 4u0bD III Rep, Mult 156,160

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
10.0602c4mC0.4256.180.0430.7172.4.1.1NA
20.0601bhgA0.4216.300.0510.7253.2.1.31NA
30.0601vdzA0.3905.990.0830.6343.6.3.14NA
40.0602qe7A0.3906.110.0490.6413.6.1.34NA
50.0602akzA0.3936.140.0550.6524.2.1.11196
60.0603bq5A0.4236.000.0470.7072.1.1.14NA
70.0603aboA0.4395.630.0810.6924.3.1.7213,241
80.0601yq2A0.4455.940.0580.7173.2.1.23NA
90.0602psnC0.3995.790.0240.6344.2.1.11227
100.0601u22A0.3965.440.0400.6162.1.1.14155,212
110.0602qtcB0.3696.260.0670.6411.2.4.1NA
120.0601elsA0.3995.900.0330.6384.2.1.1156,221
130.0602e8yA0.4266.140.0370.7143.2.1.41191
140.0601l8aA0.3846.270.0630.6671.2.4.1NA
150.0602azdB0.4306.050.0770.7282.4.1.1NA
160.0602ptxA0.3916.030.0540.6454.2.1.11NA
170.0602ptwA0.3946.020.0390.6594.2.1.11NA
180.0602g25A0.3085.940.0540.4961.2.4.1NA
190.0601iyxA0.3816.020.0570.6274.2.1.11NA

(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
00.500.7932.040.270.874pdeA GO:0003824 GO:0005737 GO:0005829 GO:0006777 GO:0006810 GO:0016783 GO:0043546 GO:0097163
10.340.7852.050.250.862pw9D GO:0003824 GO:0005737 GO:0006777 GO:0006810 GO:0016783 GO:0097163
20.070.4625.920.060.743cmgA GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798
30.070.3006.580.040.544jkkA GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798
40.070.4536.060.050.754ypjA GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798
50.070.4625.680.050.713decA GO:0003824 GO:0004553 GO:0004565 GO:0005975 GO:0008152 GO:0009341 GO:0016787 GO:0016798 GO:0030246 GO:0043231
60.070.4495.910.060.723lpfA GO:0004553 GO:0004566 GO:0005829 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0019391 GO:0043231
70.070.4605.690.090.724jkmA GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798
80.070.4625.810.090.735c70A GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798
90.070.4535.920.070.743gm8A GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798
100.070.4566.030.060.754cu7A GO:0004553 GO:0004565 GO:0005576 GO:0005618 GO:0005975 GO:0008152 GO:0016020 GO:0016787 GO:0016798
110.070.4455.940.060.721yq2A GO:0003824 GO:0004553 GO:0004565 GO:0005975 GO:0008152 GO:0009341 GO:0016787 GO:0016798 GO:0030246 GO:0046872
120.070.4306.080.080.723fn9C GO:0004553 GO:0004565 GO:0005975 GO:0008152 GO:0016787 GO:0016798
130.070.3696.660.080.682vzsA GO:0000272 GO:0004553 GO:0005576 GO:0005615 GO:0005975 GO:0006032 GO:0008152 GO:0016787 GO:0016798 GO:0030246 GO:0052761
140.060.4216.300.050.721bhgA GO:0004553 GO:0004566 GO:0005102 GO:0005615 GO:0005764 GO:0005975 GO:0006027 GO:0008152 GO:0016020 GO:0016787 GO:0016798 GO:0019904 GO:0030214 GO:0043202 GO:0043231 GO:0070062
150.060.3116.180.050.531xi6A GO:0046854
160.060.4066.040.040.683bgaA GO:0003824 GO:0004553 GO:0004565 GO:0005975 GO:0008152 GO:0009341 GO:0016787 GO:0016798 GO:0030246 GO:0043231 GO:0046872
170.060.3556.520.070.633slkA GO:0000166 GO:0003824 GO:0008152 GO:0008270 GO:0016491 GO:0016740 GO:0031177 GO:0055114
180.060.2526.370.040.454gvhA GO:0004553 GO:0004563 GO:0005737 GO:0005975 GO:0007049 GO:0008152 GO:0008360 GO:0009252 GO:0009254 GO:0016787 GO:0016798 GO:0046677 GO:0051301 GO:0071555


Consensus prediction of GO terms
 
Molecular Function GO:0016783 GO:0097163 GO:0043546 GO:0016798
GO-Score 0.67 0.67 0.50 0.37
Biological Processes GO:0006777 GO:0006810
GO-Score 0.67 0.67
Cellular Component GO:0005829
GO-Score 0.50

(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.