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I-TASSER results for job id Rv2275

[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
10.32 8 3oqiB NHE Rep, Mult 86,91,116,117,207,229,233,253,255
20.16 6 1x8xA TYR Rep, Mult 84,86,88,116,229,233,236,251
30.06 2 3oqiA NHE Rep, Mult 202,203,206,255,256,257,258,259
40.05 2 1j09A GLU Rep, Mult 85,87,89,118,229,233,253
50.03 1 2bytA LEU Rep, Mult 87,102,115,148,151

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
10.0602zryD0.3886.300.0300.6575.3.3.2NA
20.0602tmdA0.3815.700.0390.5881.5.8.2205
30.0601skaA0.3746.620.0350.6713.1.3.8NA
40.0601w9xA0.3205.500.0450.4913.2.1.1NA
50.0601kc7A0.3976.310.0450.6612.7.9.1NA
60.0601o01C0.3836.620.0520.6641.2.1.3NA
70.0601gonA0.4525.940.0520.7063.2.1.21NA
80.0601a8hA0.4794.910.0440.6896.1.1.10NA
90.0601didA0.3846.120.0600.6135.3.1.5NA
100.0601dkmA0.3926.020.0690.6473.1.3.26,3.1.3.2NA
110.0601xc6A0.3866.150.0230.6193.2.1.2388,153
120.0601zumI0.3326.560.0260.5851.2.1.3NA
130.0602dieA0.3475.690.0450.5543.2.1.198,101
140.0602c29F0.3815.570.0320.5851.1.1.219150
150.0601djnA0.3916.880.0670.7131.5.8.2,1.5.99.7117,239
160.0602hs4A0.3955.820.0600.6336.3.5.3NA
170.0602gjpA0.3875.910.0980.6233.2.1.98100
180.0601g5aA0.3936.200.0610.6472.4.1.4NA
190.0602a9yA0.3796.080.0400.6192.7.1.20NA

(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
00.140.5863.520.080.733hv0A GO:0000166 GO:0004812 GO:0004830 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006436 GO:0016874
10.130.5873.810.090.753a04A GO:0000166 GO:0004812 GO:0004830 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006436 GO:0016874
20.120.4994.460.060.681h3fB GO:0000166 GO:0003723 GO:0004812 GO:0004831 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006437 GO:0016874
30.110.6224.130.100.813kt8D GO:0000166 GO:0004812 GO:0004830 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006436 GO:0016874
40.070.6094.000.070.791r6tA GO:0000166 GO:0001525 GO:0004812 GO:0004830 GO:0005524 GO:0005634 GO:0005737 GO:0005829 GO:0006412 GO:0006418 GO:0006436 GO:0008285 GO:0016874 GO:0045765 GO:0070062
50.070.5963.670.080.763focA GO:0000166 GO:0004812 GO:0004830 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006436 GO:0016874
60.070.5983.500.070.744j75A GO:0000166 GO:0004812 GO:0004830 GO:0005524 GO:0005737 GO:0006418 GO:0006436 GO:0016874
70.070.5963.490.060.744jfaC GO:0000166 GO:0004812 GO:0004830 GO:0005524 GO:0005737 GO:0006418 GO:0006436 GO:0016874
80.070.5923.760.100.763tzeA GO:0000166 GO:0004812 GO:0004830 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006436 GO:0016874
90.070.5574.470.070.755ihxA GO:0000166 GO:0003723 GO:0004812 GO:0004831 GO:0005524 GO:0005737 GO:0005739 GO:0005829 GO:0006412 GO:0006418 GO:0006437 GO:0016874 GO:0043039
100.070.5783.730.070.743i05B GO:0000166 GO:0004812 GO:0004830 GO:0005524 GO:0005737 GO:0005829 GO:0006412 GO:0006418 GO:0006436 GO:0016874
110.070.5514.480.090.742pidB GO:0000049 GO:0000166 GO:0003723 GO:0004812 GO:0004831 GO:0005524 GO:0005737 GO:0005739 GO:0005759 GO:0005829 GO:0006412 GO:0006418 GO:0006437 GO:0016874 GO:0042803 GO:0043039 GO:0044822 GO:0070184 GO:0072545
120.070.5354.690.080.732janA GO:0000166 GO:0003723 GO:0004812 GO:0004831 GO:0005524 GO:0005618 GO:0005737 GO:0005829 GO:0005886 GO:0006412 GO:0006418 GO:0006437 GO:0016874 GO:0040007 GO:0043039
130.070.5403.820.100.702cybA GO:0000166 GO:0004812 GO:0004831 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006437 GO:0016874
140.070.5094.520.060.705ihxB GO:0000166 GO:0003723 GO:0004812 GO:0004831 GO:0005524 GO:0005737 GO:0005739 GO:0005829 GO:0006412 GO:0006418 GO:0006437 GO:0016874 GO:0043039
150.070.5414.380.070.722ts1A GO:0000166 GO:0003723 GO:0004812 GO:0004831 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006437 GO:0016874
160.070.5084.890.070.724ojmX GO:0000166 GO:0003723 GO:0004812 GO:0004831 GO:0005524 GO:0005737 GO:0005739 GO:0005759 GO:0005829 GO:0006397 GO:0006412 GO:0006418 GO:0006437 GO:0016874 GO:0043039
170.070.5504.190.070.721jilA GO:0000166 GO:0003723 GO:0004812 GO:0004831 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006437 GO:0016874
180.070.5534.590.080.745ijxA GO:0000166 GO:0003723 GO:0004812 GO:0004831 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006437 GO:0016874


Consensus prediction of GO terms
 
Molecular Function GO:0005524 GO:0004830
GO-Score 0.46 0.38
Biological Processes GO:0006436
GO-Score 0.38
Cellular Component GO:0005737
GO-Score 0.46

(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.