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I-TASSER results for job id Rv0495c

[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
10.10 4 3gb4B D3M Rep, Mult 123,193,205,207,257,260
20.10 4 1z01A FES Rep, Mult 175,178,208,215,216,217
30.07 3 2f9yB ZN Rep, Mult 81,88,100,101
40.05 2 1n4pB ZN Rep, Mult 194,196,247
50.03 1 3gtsA FE Rep, Mult 119,125,130,265,269
60.02 1 3iaqA MG Rep, Mult 96,97
70.02 1 3o72C OXY Rep, Mult 109,202
80.02 1 2wl3A CA Rep, Mult 61,109
90.02 1 3qy6A MG Rep, Mult 103,247
100.02 1 2xsoW FES Rep, Mult 196,198,202,204,221,222
110.02 1 1l8tA MG Rep, Mult 28,225

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
10.0602c10B0.3755.870.0270.6051.4.3.21,1.4.3.6NA
20.0601gz3A0.3766.170.0400.6221.1.1.38NA
30.0602vz9B0.3317.050.0440.6222.3.1.85NA
40.0602zy2A0.3816.320.0390.6324.1.1.12NA
50.0601g8kE0.3806.510.0410.6591.20.98.1128,148
60.0601aorB0.4026.590.0480.6961.2.7.5156,160
70.0602vz8A0.3766.650.0540.6622.3.1.85NA
80.0601eg9A0.5764.910.0690.8311.14.12.12NA
90.0602wgqB0.3735.950.0290.6081.4.3.21NA
100.0602zy4F0.3756.230.0290.6284.1.1.12NA
110.0601llwA0.4076.650.0370.7231.4.7.1NA
120.0602b1xA0.5685.130.0670.8351.14.12.12NA
130.0601ea0A0.4056.800.0410.7371.4.1.13NA
140.0601tgoA0.3436.110.0580.5712.7.7.7155
150.0603ikmD0.3956.410.0440.6762.7.7.772
160.0601n2lA0.3886.380.0800.6623.1.6.8197
170.0601wqlA0.5805.160.0700.8511.14.12.-NA
180.0601z01A0.5884.850.0680.8181.14.13.61NA
190.0601g8kA0.3776.530.0450.6551.20.98.1NA

(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
00.270.7263.350.130.853gobA GO:0005506 GO:0016491 GO:0016708 GO:0019439 GO:0046872 GO:0051536 GO:0051537 GO:0055114
10.090.5884.850.070.821z01A GO:0004497 GO:0016491 GO:0046872 GO:0051536 GO:0051537 GO:0055114
20.090.5705.230.060.831uliC GO:0005506 GO:0006725 GO:0016491 GO:0016705 GO:0016708 GO:0018687 GO:0019439 GO:0046872 GO:0051213 GO:0051536 GO:0051537 GO:0055114
30.080.5755.080.070.843gzxA GO:0005506 GO:0006725 GO:0016491 GO:0016705 GO:0016708 GO:0018687 GO:0019439 GO:0046872 GO:0051213 GO:0051536 GO:0051537 GO:0055114
40.080.5805.040.060.843en1A GO:0005506 GO:0006725 GO:0016491 GO:0016705 GO:0016708 GO:0018619 GO:0018624 GO:0019439 GO:0042184 GO:0042203 GO:0046872 GO:0051213 GO:0051536 GO:0051537 GO:0055114
50.080.6353.600.130.773gl0C GO:0005506 GO:0016491 GO:0016708 GO:0019439 GO:0046872 GO:0051536 GO:0051537 GO:0055114
60.080.5924.750.070.803gcfA GO:0016491 GO:0046872 GO:0051213 GO:0051536 GO:0051537 GO:0055114
70.070.5834.960.080.842gbwA GO:0005506 GO:0006725 GO:0016491 GO:0016705 GO:0016708 GO:0019439 GO:0046872 GO:0051213 GO:0051536 GO:0051537 GO:0055114
80.070.5685.130.070.832b1xA GO:0005506 GO:0006725 GO:0016491 GO:0016705 GO:0016708 GO:0019439 GO:0046872 GO:0051213 GO:0051536 GO:0051537 GO:0055114
90.070.5764.910.070.831eg9A GO:0005506 GO:0006725 GO:0016491 GO:0016705 GO:0016708 GO:0018625 GO:0019439 GO:0046872 GO:0051213 GO:0051536 GO:0051537 GO:0055114
100.070.5724.760.070.793gkqA GO:0016491 GO:0046872 GO:0051213 GO:0051536 GO:0051537 GO:0055114
110.070.5805.160.070.851wqlA GO:0005506 GO:0006725 GO:0016491 GO:0016705 GO:0016708 GO:0019439 GO:0046872 GO:0051213 GO:0051536 GO:0051537 GO:0055114
120.070.5814.950.070.842bmoA GO:0005506 GO:0006725 GO:0016491 GO:0016705 GO:0016708 GO:0019439 GO:0046872 GO:0051536 GO:0051537 GO:0055114
130.070.5615.220.050.833n0qA GO:0005506 GO:0006725 GO:0016491 GO:0016705 GO:0016708 GO:0019439 GO:0046872 GO:0051536 GO:0051537 GO:0055114
140.070.5724.750.080.792de6B GO:0016491 GO:0046872 GO:0051536 GO:0051537 GO:0055114
150.070.5734.400.080.784qdcA GO:0016491 GO:0046872 GO:0051536 GO:0051537 GO:0055114
160.070.5495.310.040.834qurA GO:0005506 GO:0006725 GO:0016491 GO:0016705 GO:0016708 GO:0019439 GO:0046872 GO:0051213 GO:0051536 GO:0051537 GO:0055114
170.070.5735.140.070.845aeuA GO:0005506 GO:0006725 GO:0016491 GO:0016705 GO:0016708 GO:0018687 GO:0019439 GO:0046872 GO:0051213 GO:0051536 GO:0051537 GO:0055114
180.070.5424.730.090.774qdfB GO:0016491 GO:0046872 GO:0051536 GO:0051537 GO:0055114


Consensus prediction of GO terms
 
Molecular Function GO:0051537 GO:0005506 GO:0016708
GO-Score 0.49 0.44 0.44
Biological Processes GO:0055114 GO:0019439
GO-Score 0.49 0.44
Cellular Component
GO-Score

(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.