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I-TASSER results for job id Rv3267

[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
10.54 12 3tepA ZTP Rep, Mult 60,62,64,66,67,68,97,98,102,104,111,118,187,188,189,192,235,236,238,248,252,259,260,263,264,269,294,307
20.08 2 3telA MN Rep, Mult 68,95,97

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
10.0601nekA0.3587.430.0510.5921.3.99.1,248
20.0601clqA0.3167.350.0170.5182.7.7.7NA
30.0601hi8A0.3336.930.0580.5102.7.7.48259
40.0601bxrA0.3797.000.0780.6006.3.5.5NA
50.0602jlgC0.3117.930.0430.5342.7.7.4867,168
60.0601q16A0.3407.780.0510.5801.7.99.4NA
70.0601yq3A0.3497.620.0460.5841.3.5.1NA
80.0601kf6A0.3467.640.0640.5801.3.99.1NA
90.0601r9mB0.3267.730.0550.5503.4.14.5183
100.0602gtqA0.3576.790.0460.5443.4.11.2NA
110.0601ea0A0.3497.690.0480.5921.4.1.1331
120.0601knpA0.3327.300.0310.5381.4.3.16166,183
130.0602wdqA0.3617.460.0500.6021.3.99.1NA
140.0602ckjA0.3038.100.0340.5321.17.1.4,1.17.3.2NA
150.0601jnrA0.3707.640.0610.6211.8.99.2NA
160.0603cirM0.3017.560.0460.5001.3.99.1262
170.0601qlaD0.3407.530.0630.5641.3.99.1193,249
180.0602dqmA0.3586.910.0440.5483.4.11.2NA
190.0602vdcA0.3527.570.0290.5841.4.1.13NA

(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
00.370.5952.100.200.634de8A GO:0006260 GO:0016020 GO:0016021
10.290.4202.560.280.463nroB GO:0016020 GO:0016021
20.270.4332.580.230.473mejA GO:0005886 GO:0006351 GO:0006355 GO:0016020 GO:0016021
30.180.3932.380.220.423nxhA GO:0005886 GO:0006351 GO:0006355 GO:0016020 GO:0016021
40.180.4423.840.200.523pe5A GO:0016020 GO:0016021
50.120.2557.490.030.422jkbA GO:0004308 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0052794 GO:0052795 GO:0052796
60.060.2927.020.080.463pyzA GO:0000166 GO:0004326 GO:0005524 GO:0009058 GO:0009396 GO:0016874 GO:0046901
70.060.2187.150.030.364xgcD GO:0000808 GO:0003677 GO:0003688 GO:0005634 GO:0005664 GO:0006260 GO:0006270
80.060.2076.300.030.312iwcA GO:0008658 GO:0046677
90.060.1395.890.050.203o13A GO:0005576 GO:0009405
100.060.1706.600.040.261aym1 GO:0000166 GO:0001172 GO:0003723 GO:0003724 GO:0003968 GO:0004197 GO:0004386 GO:0005198 GO:0005216 GO:0005524 GO:0006260 GO:0006351 GO:0006508 GO:0006810 GO:0006811 GO:0008233 GO:0008234 GO:0016020 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0017111 GO:0018144 GO:0019012 GO:0019028 GO:0019062 GO:0030430 GO:0030683 GO:0033644 GO:0034220 GO:0039503 GO:0039520 GO:0039522 GO:0039540 GO:0039544 GO:0039611 GO:0039618 GO:0039657 GO:0039690 GO:0039694 GO:0039707 GO:0044161 GO:0044162 GO:0044385 GO:0044694 GO:0046718 GO:0051259 GO:0075509
110.060.1535.200.030.202r73A GO:0005215 GO:0005550 GO:0005576 GO:0006810
120.060.1725.640.040.242rciA GO:0005576 GO:0009405 GO:0030435
130.060.1285.990.020.184wf9C GO:0003723 GO:0003735 GO:0005840 GO:0006412 GO:0019843 GO:0022626 GO:0030529
140.060.1324.880.070.173cfyA GO:0000160 GO:0000166 GO:0003677 GO:0005524 GO:0005622 GO:0006351 GO:0006355 GO:0008134 GO:0043565
150.060.1114.610.060.142cpcA GO:0000226 GO:0005737 GO:0005794 GO:0005813 GO:0005815 GO:0005856 GO:0007010 GO:0007030 GO:0007088 GO:0008093 GO:0014704 GO:0030018 GO:0031430 GO:0034067 GO:0048471 GO:0050775 GO:0055003 GO:1990393
160.060.1114.020.060.133wx4A GO:0004518 GO:0004519 GO:0016032 GO:0016787 GO:0090305
170.060.1225.180.010.165palA GO:0005509 GO:0046872
180.060.0854.580.050.113fksQ GO:0005739 GO:0005743 GO:0005756 GO:0006754 GO:0006810 GO:0006811 GO:0015986 GO:0015992 GO:0016020 GO:0016787 GO:0016887 GO:0045261 GO:0046933 GO:0046961


Consensus prediction of GO terms
 
Molecular Function
GO-Score
Biological Processes GO:0006355 GO:0006260
GO-Score 0.40 0.37
Cellular Component GO:0016021 GO:0005886
GO-Score 0.78 0.40

(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.