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I-TASSER results for job id Rv3768

[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 3 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.)


  Enzyme Commission (EC) numbers and active sites

RankCscoreECPDB
Hit
TM-scoreRMSDaIDENaCovEC NumberActive Site Residues
10.3401buqA0.8012.350.2500.9665.3.3.155,97
20.1953e99A0.7952.380.1120.9661.14.12.1083
30.1912ux0A0.7572.490.0960.9332.7.11.1798,100
40.1533en1B0.7932.370.1020.9581.14.12.3,1.14.12.1127,69
50.0831o7hB0.8032.180.0510.9581.14.12.12NA
60.0601kv9A0.5034.030.0830.7811.1.99.-77
70.0603gzxB0.7952.300.1270.9581.14.12.1818,69
80.0601zjaA0.4934.230.0640.7985.4.99.11NA
90.0601izjA0.4964.260.0630.7983.2.1.135,3.2.1.1NA
100.0601g72A0.5583.970.1120.8741.1.99.841
110.0602wkgA0.4954.030.0460.7563.2.1.5426
120.0602welA0.3214.560.0360.5632.7.11.17NA
130.0602d0gA0.4964.280.0630.7983.2.1.13591
140.0604stdA0.8202.250.0670.9834.2.1.94NA
150.0601hkxA0.7582.370.1130.9332.7.11.1711,18,22,73
160.0602bngC0.8252.160.1470.9663.3.2.884
170.0601m7xB0.5243.730.0620.7982.4.1.18NA
180.0602z1kA0.4924.000.0480.7403.2.1.41NA
190.0601e3vB0.8502.010.1780.9835.3.3.132,97
200.0603elqB0.5164.210.0290.8072.8.2.2241
210.0601nu3B0.8281.600.1290.9333.3.2.8NA
220.0601yiqA0.4984.010.0930.7901.1.99.-77
230.0603k1dA0.5203.800.0710.7982.4.1.18NA
240.0602d0vA0.5664.170.0940.8661.1.99.877

(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.

[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.