[Home] [Server] [About] [Statistics] [Annotation]

I-TASSER results for job id Rv3707c

[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
10.11 6 1s18A CA Rep, Mult 25,26,97,159,226,293
20.07 4 3gvkB UUU Rep, Mult 226,227,228,230,234,235,236,237
30.07 4 1gyeB AHR Rep, Mult 21,22,39,40,93,320
40.04 2 3mbrX CA Rep, Mult 27,226,227,228,295
50.02 1 2qquA ZN Rep, Mult 38,40,95
60.02 1 2vk6A MG Rep, Mult 207,258
70.02 1 3a9gA TRE Rep, Mult 191,195
80.02 1 3qqzA CA Rep, Mult 96,308
90.02 1 3qefB AHR Rep, Mult 116,240,290,291
100.02 1 1b3aA AOP Rep, Mult 289,290
110.02 1 3o1jC IPA Rep, Mult 195,202,238
120.02 1 1cq1A CA Rep, Mult 203,204,205,207,251
130.02 1 3hzbA CA Rep, Mult 19,40
140.02 1 3gvjA UUU Rep, Mult 23,25,36,58
150.02 1 2x8sB AHR Rep, Mult 115,117,118,176,177,178,220,224
160.02 1 2tnfA IPA Rep, Mult 236,290

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
10.1241gydB0.6143.890.0680.7713.2.1.99171
20.0811pjxA0.5414.400.0930.7173.1.8.2NA
30.0791uv4A0.6083.700.0900.7593.2.1.99NA
40.0672xcyA0.6164.710.0860.8333.2.1.18122,155,157
50.0671rwlA0.5133.820.1050.6492.7.11.128
60.0672iwaA0.5313.850.0480.6702.3.2.5162,249
70.0672fpcA0.5564.210.0740.7234.3.3.2116
80.0671vcuB0.6064.680.0770.8213.2.1.18NA
90.0661simA0.6024.840.0620.8393.2.1.18295
100.0662f10A0.6004.710.0720.8163.2.1.18NA
110.0661v04A0.5704.130.0790.7353.1.1.2,3.1.8.1NA
120.0662uvkB0.5614.450.0750.7415.1.3.-97,102,107
130.0662h2nA0.5354.020.0780.6763.6.1.691,118
140.0663dr2A0.5104.070.0800.6523.1.1.17NA
150.0601eurA0.5974.670.0780.8093.2.1.18140
160.0601ncaN0.5864.930.0630.8213.2.1.18NA
170.0603gvjA0.6294.720.0600.8483.2.1.129100,103,134
180.0601y4wA0.6413.880.0710.8123.2.1.80NA
190.0601eutA0.5815.050.0490.8043.2.1.18NA
200.0603h71B0.6045.160.0740.8543.2.1.18NA
210.0601w18B0.6684.370.0770.8692.4.1.10231
220.0602aeyA0.6334.220.0810.8213.2.1.80NA
230.0601oygA0.6703.960.0470.8452.4.1.10NA
240.0601st8A0.6334.250.0770.8243.2.1.80NA
250.0601a4gA0.6104.470.0640.8163.2.1.18NA
260.0602jkbA0.6144.890.0650.8483.2.1.18,4.2.2.15NA
270.0601s0kA0.6114.320.0400.8093.2.1.18199
280.0601yifA0.6294.020.0960.7983.2.1.37107
290.0601cvmA0.5854.530.0670.7743.1.3.8126
300.0602vsmA0.5955.170.0820.8423.2.1.18177
310.0601yrzA0.6294.070.0960.8043.2.1.37227
320.0601sllA0.6024.850.0700.8274.2.2.15242
330.0601usrA0.5865.010.0800.8213.2.1.18NA

(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
00.170.6064.170.070.783p2nA GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0033954 GO:0102253 GO:0102254 GO:0102256
10.100.6793.770.110.852yfrA GO:0005576 GO:0005618 GO:0005975 GO:0009758 GO:0016740 GO:0016757 GO:0046872 GO:0047725 GO:0050053
20.090.6634.530.090.883wpuA GO:0009758 GO:0050053
30.090.5313.850.050.672iwaA GO:0016603 GO:0016740 GO:0016746 GO:0046872
40.090.6693.960.050.853om2A GO:0009758 GO:0016740 GO:0016757 GO:0046872 GO:0050053
50.090.6684.370.080.871w18B GO:0005576 GO:0009758 GO:0016740 GO:0016757 GO:0050053
60.090.6704.020.050.853byjA GO:0005576 GO:0009758 GO:0016740 GO:0016757 GO:0050053
70.080.5563.600.060.683qqzA GO:0016020 GO:0016021
80.070.6213.900.070.781gyhA GO:0004553 GO:0005576 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0031222 GO:0046558 GO:0046872
90.070.5333.660.100.663mbrX GO:0016740 GO:0046872
100.070.5333.770.090.663nolA GO:0016020 GO:0016021 GO:0016740
110.070.5213.780.060.653nokA GO:0016603 GO:0046872
120.070.5575.180.060.804unmB GO:0016020 GO:0016021 GO:0046872
130.060.4366.240.080.701hn0A GO:0003824 GO:0005576 GO:0005975 GO:0016829 GO:0016837 GO:0030246 GO:0034000 GO:0042597 GO:0046872
140.060.3386.410.060.552y6eB GO:0000244 GO:0004843 GO:0005634 GO:0005737 GO:0005764 GO:0005886 GO:0006508 GO:0006511 GO:0008233 GO:0008234 GO:0016579 GO:0016787 GO:0031397 GO:0031647 GO:0031685 GO:0034394 GO:0036459 GO:0042802 GO:0046872
150.060.3036.880.060.542h84A GO:0003824 GO:0004871 GO:0005622 GO:0007165 GO:0008152 GO:0009813 GO:0010628 GO:0010629 GO:0016210 GO:0016491 GO:0016740 GO:0016746 GO:0019505 GO:0030639 GO:0031149 GO:0031152 GO:0043327 GO:0043949 GO:0044671 GO:0048837 GO:0055114
160.060.3116.550.040.522bcgG GO:0005092 GO:0005093 GO:0005096 GO:0005737 GO:0006810 GO:0007264 GO:0015031 GO:0016192 GO:0016491 GO:0043547 GO:0050790 GO:0055114
170.060.2826.990.060.501v33A GO:0003896 GO:0003899 GO:0006260 GO:0006269 GO:0016740 GO:0016779 GO:0046872 GO:1990077
180.060.2276.980.050.403hvnA GO:0009405 GO:0015485
190.060.2577.450.040.481g71A GO:0003896 GO:0003899 GO:0006260 GO:0006269 GO:0016740 GO:0016779 GO:0046872 GO:1990077
200.060.2695.180.070.393mh9A GO:0005576 GO:0005618 GO:0005886 GO:0006810 GO:0006869 GO:0008289 GO:0009405 GO:0016020 GO:0035091 GO:0046677 GO:0051861 GO:0097691
210.060.2537.110.040.453rtkA GO:0000166 GO:0001666 GO:0005524 GO:0005618 GO:0005737 GO:0005829 GO:0005886 GO:0006457 GO:0009408 GO:0040007 GO:0042026 GO:0044406 GO:0051082
220.060.2355.430.070.351ncwH
230.060.2385.640.040.362gpyB GO:0008168 GO:0008171 GO:0016740 GO:0032259 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0016758 GO:0043169 GO:0004553
GO-Score 0.51 0.51 0.34
Biological Processes GO:0044699 GO:0044238 GO:0071704
GO-Score 0.45 0.43 0.41
Cellular Component GO:0005618 GO:0005576
GO-Score 0.10 0.10

(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.