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I-TASSER results for job id Rv1118c

[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
10.12 6 3kw0B LYS Rep, Mult 81,83,84,87,96,97,116,118,144,148
20.06 3 1gw0B MAN Rep, Mult 80,84
30.06 3 2j0yC BGC Rep, Mult 84,86
40.04 2 1lshB UPL Rep, Mult 74,154
50.04 2 3e5uC 3C4 Rep, Mult 170,173,174
60.04 2 2hdrA 4A3 Rep, Mult 94,95,96
70.02 1 3btxA MG Rep, Mult 21,27,97
80.02 1 1n38A CH1 Rep, Mult 88,89,91,92,258
90.02 1 4dv1J MG Rep, Mult 96,97
100.02 1 1jb0M CLA Rep, Mult 235,239
110.02 1 1zqqA MN Rep, Mult 131,162,165
120.02 1 2ouxA MG Rep, Mult 70,73
130.02 1 3sxvA 3TR Rep, Mult 81,82,181

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
10.0602fknB0.3736.790.0510.6924.2.1.4999
20.0601gthA0.3696.690.0510.6681.3.1.291
30.0601qlaD0.3706.020.0510.6121.3.99.1138
40.0601av4A0.3756.910.0270.6891.4.3.21,1.4.3.627
50.0601kwgA0.3946.300.0880.6853.2.1.23NA
60.0601ui7A0.3796.520.0320.6611.4.3.21145,283
70.0602e0wB0.3946.330.0610.6642.3.2.2237,248,260
80.0603btaA0.3736.240.0420.6223.4.24.69NA
90.0601jdwA0.3816.130.0770.6402.1.4.1NA
100.0602vuaA0.2866.620.0380.4933.4.24.69NA
110.0601xmeA0.3705.710.0250.5731.9.3.1NA
120.0602z8kC0.2875.910.0490.4652.3.2.2NA
130.0601hlgA0.3256.690.0470.5873.1.1.3NA
140.0601yq3A0.3516.380.0660.6051.3.5.1NA
150.0601izjA0.3846.100.0450.6293.2.1.135,3.2.1.1NA
160.0601w7cA0.3966.370.0470.6821.4.3.1327
170.0602oqeB0.3106.060.0960.5031.4.3.21,1.4.3.627
180.0602etfB0.2956.660.0310.5283.4.24.69NA
190.0603debA0.3676.130.0800.5943.4.24.69NA

(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
00.060.4066.440.040.694av6A GO:0000287 GO:0004427 GO:0005509 GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0006814 GO:0009678 GO:0015081 GO:0015992 GO:0016020 GO:0016021 GO:0016787 GO:0030955 GO:0035725 GO:0042803 GO:0046872
10.060.4106.240.030.694a01A GO:0004427 GO:0005773 GO:0005774 GO:0006810 GO:0006811 GO:0009678 GO:0015992 GO:0016020 GO:0016021 GO:0016787 GO:0046872 GO:0055085
20.060.3106.700.020.551ksiA GO:0005507 GO:0008131 GO:0009308 GO:0016491 GO:0046872 GO:0048038 GO:0052593 GO:0052594 GO:0052595 GO:0052596 GO:0052597 GO:0055114 GO:0097185
30.060.3626.190.070.621obbA GO:0000023 GO:0003824 GO:0004553 GO:0004558 GO:0005975 GO:0008152 GO:0016616 GO:0016787 GO:0016798 GO:0032450 GO:0046872 GO:0055114
40.060.3146.940.040.573hi7A GO:0004872 GO:0005507 GO:0005509 GO:0005576 GO:0005615 GO:0005777 GO:0005886 GO:0005923 GO:0006805 GO:0008131 GO:0008144 GO:0008201 GO:0008270 GO:0009308 GO:0016491 GO:0032403 GO:0035874 GO:0042493 GO:0042803 GO:0046677 GO:0046872 GO:0048038 GO:0052597 GO:0052598 GO:0052599 GO:0052600 GO:0055114 GO:0070062 GO:0071280 GO:0071420 GO:0071504 GO:0097185
50.060.3697.010.030.693loyA
60.060.3916.610.020.694av3B GO:0000287 GO:0004427 GO:0005509 GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0006814 GO:0009678 GO:0015081 GO:0015992 GO:0016020 GO:0016021 GO:0016787 GO:0030955 GO:0035725 GO:0042803 GO:0046872
70.060.3856.740.050.701tu5A GO:0005507 GO:0005576 GO:0005615 GO:0008131 GO:0009308 GO:0016491 GO:0046872 GO:0048038 GO:0052593 GO:0052594 GO:0052595 GO:0052596 GO:0055114
80.060.3806.690.040.693alaD GO:0005507 GO:0005509 GO:0005737 GO:0005769 GO:0005783 GO:0005794 GO:0005886 GO:0005902 GO:0006805 GO:0006954 GO:0007155 GO:0008131 GO:0009308 GO:0009986 GO:0016020 GO:0016021 GO:0016491 GO:0042803 GO:0046677 GO:0046872 GO:0046982 GO:0048038 GO:0052593 GO:0052594 GO:0052595 GO:0052596 GO:0055114
90.060.3066.230.060.521j6uA GO:0000166 GO:0005524 GO:0005737 GO:0007049 GO:0008360 GO:0008763 GO:0009058 GO:0009252 GO:0016874 GO:0051301 GO:0071555
100.060.2887.310.040.561avkA GO:0005507 GO:0008131 GO:0009308 GO:0016491 GO:0046872 GO:0048038 GO:0052593 GO:0052594 GO:0052595 GO:0052596 GO:0055114
110.060.3776.620.040.663nbbA GO:0005507 GO:0005777 GO:0008131 GO:0009308 GO:0016491 GO:0046872 GO:0048038 GO:0052593 GO:0052594 GO:0052595 GO:0052596 GO:0055114
120.060.3226.510.040.572wgqB GO:0005507 GO:0005509 GO:0006559 GO:0008131 GO:0009308 GO:0016491 GO:0019607 GO:0042597 GO:0046872 GO:0048038 GO:0052593 GO:0052594 GO:0052595 GO:0052596 GO:0055114
130.060.3846.360.040.663t0uB GO:0005507 GO:0005777 GO:0008131 GO:0009308 GO:0016491 GO:0046872 GO:0048038 GO:0052593 GO:0052594 GO:0052595 GO:0052596 GO:0055114
140.060.3966.370.050.681w7cA GO:0005507 GO:0008131 GO:0009308 GO:0016491 GO:0046872 GO:0048038 GO:0052597 GO:0055114 GO:0071241
150.060.2986.870.030.541smsA GO:0004748 GO:0005634 GO:0005737 GO:0005971 GO:0006260 GO:0009186 GO:0009263 GO:0016491 GO:0051188 GO:0055114
160.060.3926.470.040.683pgbA GO:0005507 GO:0008131 GO:0009308 GO:0016491 GO:0018057 GO:0018149 GO:0046872 GO:0048038 GO:0055114
170.060.2806.500.100.493r5xC GO:0000166 GO:0000287 GO:0003824 GO:0005524 GO:0005737 GO:0008360 GO:0008716 GO:0009252 GO:0016874 GO:0030145 GO:0046872 GO:0071555
180.060.2516.780.040.453optA GO:0000122 GO:0001078 GO:0003676 GO:0003677 GO:0005634 GO:0006351 GO:0006355 GO:0010507 GO:0016577 GO:0032454 GO:0032968 GO:0033169 GO:0043565 GO:0046872 GO:0051864 GO:0070544


Consensus prediction of GO terms
 
Molecular Function GO:0043169
GO-Score 0.57
Biological Processes GO:0044710
GO-Score 0.36
Cellular Component GO:0005774 GO:0005615 GO:0005777 GO:0070062 GO:0005923 GO:0005887
GO-Score 0.06 0.06 0.06 0.06 0.06 0.06

(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.