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I-TASSER results for job id Rv3660c

[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
10.52 67 2c8vA ATP Rep, Mult 124,125,126,127,128,129,130,131,152,281,304,305,306,307,310,311,314,327,331
20.10 13 3la6D CA Rep, Mult 130,149,228
30.04 5 3ea0A ATP Rep, Mult 124,256
40.02 3 3r9iD III Rep, Mult 255,258,259,286,291,295
50.02 3 1n2cE ALF Rep, Mult 124,125,129,130,149,153,231
60.01 1 3fwyA SF4 Rep, Mult 160,161,196,197
70.01 1 1g5pB SF4 Rep, Mult 208,209,239
80.01 2 3r9iB III Rep, Mult 157,162,163,312,314,315,316,317

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
10.0981de0A0.5453.260.1160.6401.18.6.1NA
20.0601skyE0.3895.700.0600.5743.6.3.14,3.6.1.34NA
30.0601dj3A0.4054.590.1150.5236.3.4.4NA
40.0601eulA0.3925.520.0570.5713.6.3.8NA
50.0602bmbA0.4246.150.0370.6692.5.1.15,2.7.6.3,4.1.2.25NA
60.0602v40A0.2807.400.0530.5266.3.4.4NA
70.0601a82A0.4503.330.1510.5316.3.3.3NA
80.0601dj2A0.4044.590.1070.5176.3.4.4NA
90.0601eg7A0.4754.510.0970.6176.3.4.3NA
100.0602f43B0.4065.820.0640.6093.6.3.14NA
110.0601cp2A0.5383.310.1430.6341.18.6.1NA
120.0603fgnA0.4723.280.1540.5546.3.3.3233
130.0601izjA0.4346.630.0350.7293.2.1.135,3.2.1.1NA
140.0601dj2B0.4034.480.1070.5146.3.4.4234,266
150.0602a3lA0.4056.150.0430.6313.5.4.6138
160.0602vo1B0.4103.740.1070.5006.3.4.2NA
170.0602qmoA0.4153.330.1330.4946.3.3.3NA
180.0601kmhB0.4085.900.0430.6113.6.3.14NA
190.0601m7jA0.4105.740.0530.6173.5.1.81NA
200.0601cp2B0.5393.240.1440.6311.18.6.1125,150,260

(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
00.300.4513.910.120.543la6B GO:0000166 GO:0000271 GO:0004713 GO:0005524 GO:0005886 GO:0005887 GO:0009103 GO:0009242 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0016887 GO:0018108 GO:0038083 GO:0045226
10.270.5942.520.170.663q9lA GO:0000166 GO:0005524 GO:0005829 GO:0005886 GO:0007049 GO:0007059 GO:0009898 GO:0016020 GO:0016887 GO:0031226 GO:0042802 GO:0051301 GO:0051782 GO:0060187
20.240.5642.750.200.641g3qA GO:0000166 GO:0005524 GO:0051301
30.220.5542.630.230.622bejA GO:0000166 GO:0003677 GO:0005524 GO:0007059 GO:0016787
40.190.5503.030.180.631hyqA GO:0000166 GO:0005524 GO:0051301
50.180.5572.900.160.633fwyA GO:0000166 GO:0005524 GO:0015979 GO:0015995 GO:0016491 GO:0016636 GO:0016730 GO:0019685 GO:0030494 GO:0036070 GO:0046148 GO:0046872 GO:0051536 GO:0051539 GO:0055114
60.170.5113.540.170.613kb1A GO:0000166 GO:0005524 GO:0016787 GO:0016887 GO:0046872 GO:0051536
70.160.5912.420.150.654v02A GO:0000166 GO:0005524 GO:0016887
80.160.5383.140.100.623fkqA GO:0000166 GO:0005524
90.160.4892.720.140.554dzzA GO:0000166
100.150.5533.010.170.634rz2A GO:0000166 GO:0005524
110.140.5383.310.140.631cp2A GO:0000166 GO:0005524 GO:0009399 GO:0016163 GO:0016491 GO:0016612 GO:0018697 GO:0046872 GO:0051536 GO:0051539 GO:0055114
120.140.5373.380.120.643kjeA GO:0000166 GO:0019415
130.130.5173.060.130.603pg5C GO:0005524 GO:0016491 GO:0055114
140.120.5003.460.170.602ph1A GO:0000166 GO:0005524 GO:0016787 GO:0016887 GO:0046872 GO:0051536
150.110.5453.310.120.642afhE GO:0000166 GO:0005524 GO:0009399 GO:0016163 GO:0016491 GO:0016612 GO:0018697 GO:0046872 GO:0051536 GO:0051539 GO:0055114
160.100.4583.200.150.533cwqA GO:0000166
170.100.4453.850.130.532vedB GO:0000166 GO:0004715 GO:0005576 GO:0006859 GO:0009103 GO:0015542 GO:0015992 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0018108 GO:0045226
180.080.4303.810.140.535l3rC GO:0000166 GO:0003723 GO:0003924 GO:0005525 GO:0005786 GO:0006614 GO:0008312 GO:0009507 GO:0009536 GO:0009570 GO:0030529 GO:0048500 GO:0080085
190.070.6261.360.170.653ea0B GO:0000166 GO:0005524


Consensus prediction of GO terms
 
Molecular Function GO:0005524 GO:0004672 GO:0005515 GO:0016887 GO:0003676
GO-Score 0.76 0.59 0.55 0.49 0.44
Biological Processes GO:0008610 GO:0046377 GO:0033692 GO:1901137 GO:0018108 GO:0008653 GO:0046777 GO:0046379 GO:0051302 GO:0048523 GO:0007059
GO-Score 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.55 0.55 0.43
Cellular Component GO:0031226 GO:0044444 GO:0098562 GO:0016021
GO-Score 0.59 0.55 0.55 0.47

(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.