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I-TASSER results for job id Rv0988

[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
10.05 3 1fo4A FES Rep, Mult 339,340,357,358,359,377
20.05 3 3hhwC TAR Rep, Mult 185,211,215
30.04 2 2alzA MG Rep, Mult 72,244,245
40.04 2 2ckjB FES Rep, Mult 185,186,187,222,224,235,237
50.04 2 3rg1C MAN Rep, Mult 75,242
60.02 1 1uw6M NCT Rep, Mult 240,300
70.02 1 5bshI PRO Rep, Mult 260,374
80.02 1 3eubS FES Rep, Mult 196,197,200,213,214,215
90.02 1 3sltA C8E Rep, Mult 78,240
100.02 1 2ffuA MN Rep, Mult 62,66,243
110.02 1 1lgcA ASN Rep, Mult 265,266
120.02 1 5c1oC MG Rep, Mult 93,377
130.02 1 2qtkA C8E Rep, Mult 74,92,123
140.02 1 4oicB MN Rep, Mult 79,263,372
150.02 1 2ckjA FES Rep, Mult 189,190,191,193,218,219,220,221
160.02 1 2vk6A MG Rep, Mult 304,354
170.02 1 2uyjA EDO Rep, Mult 354,363
180.02 1 1vdvA CA Rep, Mult 263,265,371,372
190.02 1 4ofgA N2P Rep, Mult 300,304
200.02 1 4gv9A MN Rep, Mult 91,92,93,356

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
10.0601z68A0.3576.690.0430.5833.4.21.-NA
20.0601orvA0.3526.810.0630.5833.4.14.5184
30.0603b9jJ0.2765.870.0480.4091.17.1.4,1.17.3.2297
40.0602ecfA0.3506.870.0690.5913.4.14.5184
50.0601l1lA0.3537.020.0250.6011.17.4.2301
60.0602e1qA0.3677.060.0450.6271.17.3.2,1.17.1.4NA
70.0603fsnB0.3546.920.0410.5965.2.1.7NA
80.0602cfmA0.3637.010.0480.6176.5.1.1NA
90.0603b9jC0.2937.120.0430.5031.17.3.2,1.17.1.4NA
100.0601l2aE0.3496.960.0430.5783.2.1.476,90
110.0603b9jI0.1855.640.0440.2751.17.1.4,1.17.3.2288,372
120.0602qr5A0.3677.030.0550.6243.4.19.1NA
130.0603gdeA0.3446.620.0450.5676.5.1.1NA
140.0601c7sA0.3517.710.0400.6583.2.1.52358
150.0602gbcA0.3347.130.0390.5803.4.14.5,3.4.15.5NA
160.0602w41B0.3476.930.0240.5782.7.1.30216
170.0601qbaA0.3537.720.0400.6613.2.1.52NA
180.0601h16A0.3687.060.0480.6272.3.1.54NA
190.0602qnoA0.3566.850.0390.5883.2.1.4158

(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
00.440.8091.030.300.822ichB
10.060.3967.110.080.683v89A GO:0004872 GO:0005215 GO:0006810 GO:0009279 GO:0016020 GO:0016021 GO:0019867
20.060.3597.320.040.644aipB GO:0004872 GO:0005506 GO:0006810 GO:0009279 GO:0015891 GO:0016020
30.060.3137.220.030.542gskA GO:0004872 GO:0006810 GO:0006811 GO:0009279 GO:0015235 GO:0015288 GO:0015889 GO:0016020 GO:0016021 GO:0046872 GO:0046930 GO:0055085
40.060.3157.160.030.545fp2B GO:0004872 GO:0005506 GO:0006810 GO:0009279 GO:0015891 GO:0016020
50.060.3316.980.050.561kmoA GO:0004872 GO:0005506 GO:0006810 GO:0006811 GO:0009279 GO:0015091 GO:0015682 GO:0015891 GO:0016020 GO:0016021 GO:0019867 GO:0055072
60.060.3186.890.060.523fhhA GO:0004872 GO:0005215 GO:0006810 GO:0009279 GO:0016020 GO:0019867
70.060.3167.250.040.542hdiA GO:0004872 GO:0006810 GO:0006811 GO:0009279 GO:0015343 GO:0016020 GO:0016021 GO:0033212 GO:0042912 GO:0043213 GO:0044718 GO:0055072
80.060.3577.330.050.621fepA GO:0004872 GO:0005506 GO:0006810 GO:0006811 GO:0009279 GO:0015620 GO:0015685 GO:0015891 GO:0016020 GO:0016021 GO:0022834 GO:0033214 GO:0042912 GO:0042914 GO:0045203 GO:0055072 GO:0055085
90.060.3037.220.050.525fp2A GO:0004872 GO:0005506 GO:0006810 GO:0009279 GO:0015891 GO:0016020
100.060.3257.180.040.555fr8A GO:0004872 GO:0005506 GO:0006810 GO:0009279 GO:0015891 GO:0016020
110.060.2747.170.030.475e7qA GO:0003824 GO:0008152
120.060.2547.750.030.474c2lA GO:0000272 GO:0004650 GO:0005576 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0071555
130.060.2916.490.050.461x87A GO:0005737 GO:0006547 GO:0006548 GO:0016153 GO:0016829 GO:0019556 GO:0019557
140.060.2576.640.040.422yg3B GO:0000166 GO:0016491 GO:0055114
150.060.2886.820.050.483dwkC GO:0008658 GO:0016020 GO:0016021
160.060.2456.410.050.395ifyA GO:0008879 GO:0009058 GO:0016740 GO:0016779 GO:0045226 GO:0046872
170.060.2557.280.060.453ih8A GO:0004359 GO:0006541 GO:0016787
180.060.2516.840.050.413if5A GO:0004359 GO:0006541 GO:0016787


Consensus prediction of GO terms
 
Molecular Function GO:0060089
GO-Score 0.47
Biological Processes GO:0051234
GO-Score 0.47
Cellular Component GO:0019867 GO:0030313 GO:0044462
GO-Score 0.47 0.47 0.47

(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.