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I-TASSER results for job id Rv0184

[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 3wu2x RRX Rep, Mult 20,29
20.05 3 2z90A MG Rep, Mult 22,25
30.05 3 2bptA III Rep, Mult 4,7,8,11,12,77,80
40.03 2 3o8iA M1T Rep, Mult 4,7,144
50.03 2 1o6pA III Rep, Mult 7,10,11,81,84,85
60.03 2 1r3nG BIB Rep, Mult 147,215,216
70.03 2 1kzuB RG1 Rep, Mult 33,36,37,40
80.02 1 4fe1K CLA Rep, Mult 25,28
90.02 1 4zttF O Rep, Mult 33,36,78,81
100.02 1 4ac8A CA Rep, Mult 4,25
110.02 1 3q73A SUC Rep, Mult 80,81,84
120.02 1 1f59A III Rep, Mult 146,149,150,153,154,197,201,207
130.02 1 5hgcA BDG Rep, Mult 133,139,189
140.02 1 4brbB 78N Rep, Mult 42,46
150.02 1 2wtfA CA Rep, Mult 164,176
160.02 1 1o6oA III Rep, Mult 34,37,38,42,110,113,116,117
170.02 1 1u6g0 III Rep, Mult 17,29,88,89,90
180.02 1 3rdhA 3RD Rep, Mult 7,80,81,144,147
190.02 1 2wtfB CA Rep, Mult 72,130

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
10.0602f6dA0.4465.970.0750.7473.2.1.331,152
20.0603dpyA0.4514.700.0300.6632.5.1.58,2.5.1.59146,160
30.0602r72A0.4475.290.0490.6912.7.7.4885
40.0601i8qA0.4575.390.0540.7074.2.2.1120
50.0602rd0A0.4444.690.0790.6232.7.1.153110
60.0601bgaA0.4405.400.0410.6873.2.1.21NA
70.0602v1yA0.1574.560.0750.2212.7.1.15383,107,109
80.0601dceA0.4744.270.0710.6632.5.1.60NA
90.0601f6wA0.4526.090.0650.7793.1.1.13,3.1.1.343
100.0602x6fA0.4414.910.0800.6632.7.1.137,2.7.1.153,2.7.1.15481,84
110.0603c5wA0.5164.170.0750.6993.1.3.16NA
120.0601aknA0.4496.220.0240.7913.1.1.13,3.1.1.343
130.0601qoxM0.4405.200.0360.6753.2.1.2113
140.0601ho8A0.4785.040.0920.7273.6.3.1434,121,164
150.0602zoxA0.4505.380.0450.6913.2.1.2183
160.0601jphA0.4445.060.0790.6634.1.1.37NA
170.0601d8dA0.4504.800.0360.6632.5.1.58NA
180.0602a4zA0.4524.850.0870.6872.7.1.153192
190.0603draA0.4774.960.0620.7072.5.1.58,2.5.1.59NA

(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
00.120.5364.960.080.813gb8A GO:0000055 GO:0000056 GO:0000122 GO:0000776 GO:0003723 GO:0005215 GO:0005487 GO:0005634 GO:0005635 GO:0005642 GO:0005654 GO:0005730 GO:0005737 GO:0005829 GO:0006611 GO:0006810 GO:0006886 GO:0007062 GO:0008536 GO:0008565 GO:0010824 GO:0015030 GO:0015031 GO:0016020 GO:0016032 GO:0019904 GO:0030529 GO:0031965 GO:0034504 GO:0042176 GO:0042493 GO:0043231 GO:0043488 GO:0046825 GO:0051028 GO:0075733
10.110.6184.150.050.833icqT GO:0000049 GO:0003723 GO:0005525 GO:0005634 GO:0005635 GO:0005643 GO:0005737 GO:0005829 GO:0006409 GO:0006605 GO:0006810 GO:0008033 GO:0008536 GO:0015932 GO:0016363 GO:0071528
20.070.5534.350.060.793a6pA GO:0000049 GO:0003723 GO:0003729 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006611 GO:0006810 GO:0006886 GO:0008536 GO:0008565 GO:0015031 GO:0031047 GO:0035281 GO:0042565 GO:0044822 GO:0070883 GO:0090631 GO:1900370
30.070.5543.930.090.764uvkA GO:0000755 GO:0003682 GO:0005634 GO:0005829 GO:0006473 GO:0007064 GO:0009847 GO:0031505 GO:0031618 GO:0031934 GO:0034990 GO:1990707
40.070.5134.510.070.733gjxA GO:0000055 GO:0000056 GO:0000122 GO:0000776 GO:0003723 GO:0005487 GO:0005634 GO:0005642 GO:0005654 GO:0005730 GO:0005737 GO:0006611 GO:0006810 GO:0006886 GO:0008536 GO:0008565 GO:0010824 GO:0015030 GO:0015031 GO:0016020 GO:0019904 GO:0030529 GO:0031965 GO:0034504 GO:0042176 GO:0042493 GO:0043231 GO:0046825 GO:0051028
50.070.4705.040.060.734bsmA GO:0000055 GO:0000056 GO:0000122 GO:0000776 GO:0003723 GO:0005215 GO:0005487 GO:0005634 GO:0005635 GO:0005642 GO:0005654 GO:0005730 GO:0005737 GO:0005829 GO:0006611 GO:0006810 GO:0006886 GO:0007062 GO:0008536 GO:0008565 GO:0010824 GO:0015030 GO:0015031 GO:0016020 GO:0016032 GO:0019904 GO:0030529 GO:0031965 GO:0034504 GO:0042176 GO:0042493 GO:0043231 GO:0043488 GO:0046825 GO:0051028 GO:0075733
60.060.3745.090.040.553renA GO:0003824 GO:0004553 GO:0005975 GO:0016020 GO:0016021 GO:0016787
70.060.3505.730.050.582y4uA GO:0004860 GO:0005737 GO:0005783 GO:0005788 GO:0005790 GO:0005829 GO:0006417 GO:0006986 GO:0016020 GO:0019901 GO:0031205 GO:0036494 GO:0036498 GO:0043066 GO:0051087 GO:0051603 GO:0051607 GO:0051787 GO:0070062 GO:0070417 GO:1903561 GO:1903912 GO:1904030
80.060.3375.630.040.553uueA GO:0006629 GO:0016787
90.060.3655.800.040.613o8lA GO:0000166 GO:0003824 GO:0003872 GO:0005524 GO:0005737 GO:0006002 GO:0006096 GO:0008022 GO:0008152 GO:0016301 GO:0016310 GO:0016740 GO:0046872 GO:0061615
100.060.4105.440.050.673l0oA GO:0000166 GO:0003676 GO:0003723 GO:0004386 GO:0005524 GO:0006351 GO:0006353 GO:0006355 GO:0008186 GO:0016787
110.060.3265.820.050.531wekA GO:0009691 GO:0016787 GO:0016799
120.060.3266.030.050.562cuzA GO:0000049 GO:0000166 GO:0004812 GO:0004818 GO:0005524 GO:0005737 GO:0006412 GO:0006418 GO:0006424 GO:0016874 GO:0016876 GO:0043039
130.060.2975.880.050.503wwpA GO:0016829 GO:0046872
140.060.2845.400.040.444p7kA GO:0000287 GO:0005737 GO:0005739 GO:0005829 GO:0005886 GO:0006584 GO:0007565 GO:0007612 GO:0007614 GO:0008168 GO:0008171 GO:0008210 GO:0009712 GO:0014070 GO:0016020 GO:0016021 GO:0016036 GO:0016206 GO:0016740 GO:0030424 GO:0030425 GO:0032259 GO:0032496 GO:0032502 GO:0035814 GO:0042135 GO:0042417 GO:0042420 GO:0042493 GO:0043197 GO:0044297 GO:0045211 GO:0045963 GO:0046498 GO:0046500 GO:0046872 GO:0048265 GO:0048609 GO:0048662 GO:0050668 GO:0051930 GO:0070062
150.060.2765.720.040.463smvA GO:0008152 GO:0016787 GO:0019120
160.060.3424.240.040.471n0rA
170.060.2696.120.050.472f6uA GO:0000287 GO:0002094 GO:0005737 GO:0006629 GO:0006650 GO:0008654 GO:0016740 GO:0016765 GO:0046474 GO:0046872 GO:0047294
180.060.2235.450.030.351b4aA GO:0003677 GO:0003700 GO:0005737 GO:0006351 GO:0006355 GO:0006525 GO:0006526 GO:0008652 GO:0034618 GO:0051259


Consensus prediction of GO terms
 
Molecular Function GO:0022892 GO:0008536 GO:0003723
GO-Score 0.46 0.31 0.31
Biological Processes GO:0033157 GO:0006357 GO:0033365 GO:0050658 GO:0030163 GO:0000054 GO:0051298 GO:0046822 GO:0042221 GO:0046605 GO:0009894 GO:0045892 GO:0051246
GO-Score 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35
Cellular Component GO:0031967 GO:0098589 GO:0016604 GO:0042175 GO:0031090 GO:0000775 GO:1990904 GO:0043234 GO:0005829
GO-Score 0.42 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.31

(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.