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I-TASSER results for job id Rv2519

[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
10.16 8 3jcuX CLA Rep, Mult 55,59
20.04 2 4zjbG PNS Rep, Mult 71,72
30.04 2 4rku4 CLA Rep, Mult 56,57
40.04 2 2y00A 2CV Rep, Mult 24,27,47,54
50.02 1 3hw1A EV2 Rep, Mult 234,236,263,321,403
60.02 1 2dwhA UUU Rep, Mult 61,64,65,68
70.02 1 3hvgB EV0 Rep, Mult 234,263,403
80.02 1 1ibqA ZN Rep, Mult 234,403
90.02 1 1pprM PID Rep, Mult 11,15
100.02 1 5e1jA CA Rep, Mult 13,17,61
110.02 1 3pp5A CA Rep, Mult 44,45
120.02 1 1tqqA NCO Rep, Mult 5,9
130.02 1 3c9iB XE Rep, Mult 18,21
140.02 1 2px1A UUU Rep, Mult 50,53,54,57
150.02 1 3hykA MG Rep, Mult 45,91

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
10.0602c4mC0.3117.420.0550.5202.4.1.1NA
20.0602je8B0.3127.340.0450.5043.2.1.25NA
30.0601yq2A0.3287.340.0280.5413.2.1.2317,61
40.0603k1dA0.3147.570.0500.5302.4.1.18185
50.0602vuaA0.2437.140.0350.3903.4.24.6910
60.0601h7aA0.3187.410.0390.5141.17.4.2NA
70.0603fwlA0.3247.410.0440.5282.4.1.129NA
80.0603ffzA0.3357.640.0430.5713.4.24.69NA
90.0602zzgA0.3367.620.0410.5736.1.1.7NA
100.0601e1yA0.3177.370.0640.5182.4.1.1NA
110.0603btaA0.3147.800.0290.5453.4.24.69NA
120.0601gl9B0.2886.860.0450.4475.99.1.3NA
130.0602pffB0.3187.740.0860.5432.3.1.86181,183
140.0603g61A0.3367.130.0440.5163.6.3.44NA
150.0602jjdF0.3167.450.0520.5263.1.3.48NA
160.0601dgjA0.3237.000.0550.5061.2.-.-NA
170.0603hmjA0.3147.400.0280.5102.3.1.86NA
180.0602agsA0.3167.010.0480.4963.2.1.18130
190.0603b8cB0.3297.300.0640.5373.6.3.614,181

(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
00.130.7334.220.100.864ut1A GO:0005198 GO:0009424 GO:0044780
10.070.5034.680.080.622d4yA GO:0005198 GO:0005576 GO:0009288 GO:0009424 GO:0044780 GO:0071973
20.060.3687.860.050.645i2aB GO:0003824 GO:0008152
30.060.3697.920.040.645i2gA GO:0003824 GO:0008152
40.060.3687.860.030.642yajC GO:0003824 GO:0008152 GO:0016829 GO:0043722
50.060.3687.930.030.644mtjA GO:0003824 GO:0008152
60.060.3357.560.040.565bweA GO:0003824 GO:0008152
70.060.3697.980.050.652f3oA GO:0003824 GO:0008152 GO:0016829
80.060.3637.640.050.631cm5A GO:0003824 GO:0005737 GO:0005829 GO:0005975 GO:0006006 GO:0006567 GO:0008152 GO:0008861 GO:0016020 GO:0016740 GO:0016746
90.060.2767.490.040.461rqgA GO:0000049 GO:0000166 GO:0003723 GO:0004812 GO:0004825 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006431 GO:0016874 GO:0046872
100.060.2557.560.030.432pffA GO:0000287 GO:0003824 GO:0004312 GO:0004315 GO:0004316 GO:0004321 GO:0005829 GO:0005835 GO:0006629 GO:0006631 GO:0006633 GO:0008152 GO:0008897 GO:0016491 GO:0016740 GO:0042759 GO:0046872 GO:0055114 GO:0102132
110.060.3047.530.050.513ueqA GO:0003824 GO:0005576 GO:0005975 GO:0016740 GO:0016757 GO:0047669
120.060.2648.060.050.484aieA GO:0003824 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0043896 GO:0046872
130.060.2397.920.060.422wssA GO:0000166 GO:0005524 GO:0005739 GO:0005743 GO:0005753 GO:0005886 GO:0006754 GO:0006810 GO:0006811 GO:0015986 GO:0015991 GO:0015992 GO:0016020 GO:0016820 GO:0033178 GO:0045261 GO:0046034 GO:0046933 GO:0046961
140.060.2607.150.040.423dhuA GO:0003824 GO:0004556 GO:0005975 GO:0008152 GO:0016787 GO:0016798
150.060.2467.540.030.412qa1A GO:0000166 GO:0016491 GO:0055114 GO:0071949
160.060.2456.740.040.373aw5A GO:0005507 GO:0016020 GO:0016021 GO:0016491 GO:0016722 GO:0046872 GO:0055114
170.060.2447.140.050.394icyA GO:0000166 GO:0016491 GO:0055114 GO:0071949
180.060.2516.580.060.394gklA GO:0003824 GO:0005975


Consensus prediction of GO terms
 
Molecular Function GO:0005198 GO:0043722
GO-Score 0.19 0.06
Biological Processes GO:0030031 GO:0044781 GO:0070925
GO-Score 0.38 0.38 0.38
Cellular Component GO:0044461
GO-Score 0.38

(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.