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I-TASSER results for job id Rv2681

[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.)


  Enzyme Commission (EC) numbers and active sites

RankCscoreECPDB
Hit
TM-scoreRMSDaIDENaCovEC NumberActive Site Residues
10.0601bgxT0.4455.710.0880.6122.7.7.7NA
20.0603ikmD0.5006.330.0770.7242.7.7.7NA
30.0602a1rB0.3353.340.1260.3843.1.13.4150
40.0602ckjA0.3267.310.0320.5551.17.1.4,1.17.3.2NA
50.0602a1sC0.3423.780.1270.4023.1.13.459
60.0602vdcF0.3957.380.0470.6781.4.1.1358
70.0602e1qA0.2987.450.0420.5141.17.3.2,1.17.1.4NA
80.0601yt3A0.6564.430.1990.8293.1.13.5132,213
90.0602wyhA0.3767.270.0590.6283.2.1.24165
100.0602g49A0.2767.410.0260.4733.4.24.56NA
110.0602vdcA0.3987.450.0470.6871.4.1.13NA
120.0601whvA0.1135.050.0520.1533.1.13.4128,133,215
130.0601tgoA0.3695.180.0940.4822.7.7.7NA
140.0602vz8B0.3817.460.0520.6622.3.1.85113
150.0601gl9B0.3117.480.0590.5395.99.1.3NA
160.0602qxfA0.3554.960.0650.4573.1.11.159
170.0602vz9B0.3167.250.0430.5232.3.1.85113
180.0602ajqA0.4345.580.1080.5962.7.7.7NA
190.0603b8eC0.3377.830.0610.5963.6.3.9135

(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
00.620.8861.080.370.903cymA GO:0000166 GO:0003676 GO:0003824 GO:0005622 GO:0006139 GO:0008408 GO:0044237 GO:0090305
10.550.6564.430.200.831yt3A GO:0000166 GO:0003676 GO:0003824 GO:0004518 GO:0004527 GO:0004540 GO:0005622 GO:0005737 GO:0006139 GO:0008033 GO:0008408 GO:0016787 GO:0033890 GO:0042780 GO:0044237 GO:0090305 GO:0090501 GO:0090503
20.380.3632.740.160.402e6lA GO:0003676 GO:0005524 GO:0006139 GO:0006310 GO:0008026 GO:0008408 GO:0046872 GO:0090305
30.380.3612.900.170.402fbtA GO:0000166 GO:0000287 GO:0000403 GO:0000405 GO:0000722 GO:0000723 GO:0000731 GO:0000732 GO:0000784 GO:0001302 GO:0003676 GO:0003677 GO:0003678 GO:0003682 GO:0003824 GO:0004003 GO:0004386 GO:0004518 GO:0004527 GO:0005524 GO:0005622 GO:0005634 GO:0005654 GO:0005730 GO:0005737 GO:0005813 GO:0006139 GO:0006259 GO:0006260 GO:0006281 GO:0006284 GO:0006302 GO:0006310 GO:0006974 GO:0006979 GO:0007420 GO:0007568 GO:0007569 GO:0008026 GO:0008152 GO:0008408 GO:0009267 GO:0009378 GO:0010225 GO:0010259 GO:0016787 GO:0016887 GO:0016925 GO:0030145 GO:0031297 GO:0032066 GO:0032389 GO:0032403 GO:0032508 GO:0040009 GO:0042803 GO:0042981 GO:0043005 GO:0043138 GO:0043140 GO:0044237 GO:0046872 GO:0051345 GO:0051880 GO:0071480 GO:0090305 GO:1901796
40.330.6163.260.200.703sahB GO:0000166 GO:0000175 GO:0000176 GO:0000178 GO:0000184 GO:0000460 GO:0000956 GO:0003676 GO:0003723 GO:0003824 GO:0004518 GO:0004527 GO:0004532 GO:0005622 GO:0005634 GO:0005654 GO:0005730 GO:0005737 GO:0006139 GO:0006364 GO:0006396 GO:0008408 GO:0009048 GO:0016020 GO:0016787 GO:0035327 GO:0044237 GO:0044822 GO:0071028 GO:0071034 GO:0071035 GO:0071044 GO:0071048 GO:0090305 GO:0090503
50.290.6193.230.200.714nlbA GO:0000166 GO:0000176 GO:0000177 GO:0003676 GO:0003824 GO:0005622 GO:0005634 GO:0005737 GO:0006139 GO:0006364 GO:0006396 GO:0008408 GO:0016049 GO:0044237 GO:0090305
60.250.6123.460.170.715c0wK GO:0000166 GO:0000175 GO:0000176 GO:0000178 GO:0000467 GO:0000973 GO:0003676 GO:0003723 GO:0003824 GO:0004518 GO:0004527 GO:0005622 GO:0005634 GO:0005730 GO:0006139 GO:0006364 GO:0006396 GO:0008408 GO:0016787 GO:0034473 GO:0034475 GO:0034476 GO:0044237 GO:0071033 GO:0071035 GO:0071036 GO:0071037 GO:0071038 GO:0071039 GO:0071040 GO:0071042 GO:0071044 GO:0071049 GO:0071051
70.160.4423.210.170.505c0xK GO:0000166 GO:0000175 GO:0000176 GO:0000178 GO:0000467 GO:0000973 GO:0003676 GO:0003723 GO:0003824 GO:0004518 GO:0004527 GO:0005622 GO:0005634 GO:0005730 GO:0006139 GO:0006364 GO:0006396 GO:0008408 GO:0016787 GO:0034473 GO:0034475 GO:0034476 GO:0044237 GO:0071033 GO:0071035 GO:0071036 GO:0071037 GO:0071038 GO:0071039 GO:0071040 GO:0071042 GO:0071044 GO:0071049 GO:0071051
80.060.2446.640.030.383orgA
90.060.2596.830.060.413utnX GO:0002098 GO:0002143 GO:0004792 GO:0005737 GO:0005739 GO:0016740
100.060.2586.960.040.424o33A GO:0000166 GO:0004618 GO:0005524 GO:0005737 GO:0005829 GO:0006094 GO:0006096 GO:0016020 GO:0016301 GO:0016310 GO:0016740 GO:0030855 GO:0045121 GO:0061621 GO:0070062
110.060.2415.920.070.363wozB GO:0000226 GO:0000775 GO:0000776 GO:0000777 GO:0000922 GO:0002162 GO:0005694 GO:0005737 GO:0005794 GO:0005802 GO:0005815 GO:0005819 GO:0005856 GO:0005874 GO:0005881 GO:0005886 GO:0005925 GO:0005938 GO:0006903 GO:0007020 GO:0007026 GO:0007030 GO:0007049 GO:0007052 GO:0007067 GO:0007163 GO:0008017 GO:0010458 GO:0010470 GO:0010634 GO:0010717 GO:0016020 GO:0016477 GO:0030516 GO:0031023 GO:0031110 GO:0031113 GO:0031252 GO:0032587 GO:0032886 GO:0032956 GO:0034453 GO:0035791 GO:0042995 GO:0044295 GO:0045180 GO:0045921 GO:0051010 GO:0051015 GO:0051301 GO:0051321 GO:0051497 GO:0051895 GO:0072686 GO:0090002 GO:0090091 GO:1903690 GO:1903754 GO:1904261 GO:1990782
120.060.2247.130.070.374wbtA GO:0003824 GO:0004400 GO:0008152 GO:0008483 GO:0009058 GO:0016740 GO:0030170 GO:0080130
130.060.2176.730.050.353iqeA GO:0006730 GO:0008901 GO:0015948 GO:0016491 GO:0019386 GO:0030268 GO:0055114
140.060.2103.390.180.242cprA GO:0000166 GO:0000175 GO:0000176 GO:0000178 GO:0000184 GO:0000460 GO:0000956 GO:0003676 GO:0003723 GO:0003824 GO:0004518 GO:0004527 GO:0004532 GO:0005622 GO:0005634 GO:0005654 GO:0005730 GO:0005737 GO:0006139 GO:0006364 GO:0006396 GO:0008408 GO:0009048 GO:0016020 GO:0016787 GO:0035327 GO:0044237 GO:0044822 GO:0071028 GO:0071034 GO:0071035 GO:0071044 GO:0071048 GO:0090305 GO:0090503
150.060.2076.430.060.332w3zA GO:0003824 GO:0005975 GO:0016810 GO:0046872
160.060.2015.900.070.291y44A GO:0004518 GO:0004519 GO:0008033 GO:0008270 GO:0016787 GO:0016891 GO:0034414 GO:0042779 GO:0042781 GO:0046872 GO:0090502
170.060.1946.960.020.321m3jA GO:0005576 GO:0008289 GO:0009405 GO:0015485 GO:0016020 GO:0016021 GO:0019835 GO:0020002 GO:0033644 GO:0044179
180.060.2026.920.040.322fk6A GO:0004518 GO:0004519 GO:0008033 GO:0008270 GO:0016787 GO:0016891 GO:0034414 GO:0042779 GO:0042781 GO:0046872 GO:0090502


Consensus prediction of GO terms
 
Molecular Function GO:0005524 GO:0033890 GO:0043140 GO:0032403 GO:0000403 GO:0051880 GO:0000405 GO:0003682 GO:0042803 GO:0030145 GO:0009378 GO:0000287 GO:0000175 GO:0044822
GO-Score 0.62 0.55 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.34 0.34
Biological Processes GO:0090503 GO:0042780 GO:0006284 GO:0032508 GO:0071480 GO:0016925 GO:0001302 GO:0000732 GO:0040009 GO:0042981 GO:0032066 GO:0000731 GO:0006979 GO:0007420 GO:0006302 GO:0031297 GO:0010225 GO:0000722 GO:1901796 GO:0010259 GO:0009267 GO:0051345 GO:0000460 GO:0000184 GO:0071048 GO:0071044 GO:0071035 GO:0009048 GO:0071034
GO-Score 0.70 0.55 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.34 0.34 0.34 0.34 0.34 0.34 0.34
Cellular Component GO:0005737 GO:0005654 GO:0005730 GO:0005813 GO:0032389 GO:0000784 GO:0043005 GO:0000176 GO:0016020 GO:0035327
GO-Score 0.81 0.59 0.59 0.38 0.38 0.38 0.38 0.34 0.34 0.34

(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.