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I-TASSER results for job id Rv2769c

[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
10.08 4 1mhyD FE Rep, Mult 18,96,99,239
20.06 3 1brrA ARC Rep, Mult 47,63,64,67
30.06 3 1i4d0 III Rep, Mult 17,18,27,30,33,37,63,66,67,69,70,73,77,237,241,245
40.04 2 2xqtB DCW Rep, Mult 56,63
50.04 2 2c88A NA Rep, Mult 50,51,52,53,60,64
60.04 2 3m4bA ZN Rep, Mult 12,46
70.04 2 4il4B LSM Rep, Mult 41,45,48
80.02 1 2qqdD PYR Rep, Mult 48,49
90.02 1 3h6kB 33T Rep, Mult 81,88
100.02 1 4di0A FE Rep, Mult 6,10
110.02 1 2d2cA CLA Rep, Mult 43,78
120.02 1 1i490 III Rep, Mult 17,21,24,28,31,34,35,38,41,42,46,48,52,59,62,63,65,66,69,73,88,236
130.02 1 3mgnD DTR Rep, Mult 44,47,48
140.02 1 1i4d1 III Rep, Mult 13,16,19,20,22,23,25,26,27,29,30,93,96,100,103,104
150.02 1 4dr0A MN Rep, Mult 21,92,96,159,242

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
10.0603errA0.3875.240.0330.5676.1.1.1149
20.0601fo4A0.4346.240.0460.7311.17.1.4NA
30.0601dofA0.3825.120.0700.5824.3.2.2NA
40.0601uzrB0.3924.200.1040.5201.17.4.174
50.0601k62B0.3865.230.0700.5864.3.2.1NA
60.0601mhyD0.4104.200.0360.5421.14.13.25NA
70.0602ckjA0.3386.730.0760.6221.17.1.4,1.17.3.2NA
80.0603hmjA0.4225.940.0650.6912.3.1.86NA
90.0602e1qA0.4106.480.0650.7201.17.3.2,1.17.1.4NA
100.0603b8cA0.4156.660.0530.7533.6.3.6NA
110.0601eulA0.4346.240.0830.7383.6.3.8NA
120.0602hc8A0.1924.480.0380.2663.6.3.-34
130.0601jswB0.3845.110.0780.5824.3.1.169
140.0603b8cB0.4156.660.0530.7533.6.3.627,89
150.0603b8eC0.4106.280.0570.7243.6.3.9NA
160.0601yfeA0.3845.380.0490.6004.2.1.2NA
170.0602pffA0.3886.340.0460.6652.3.1.41,2.3.1.8663
180.0603b9jJ0.2475.610.0240.3961.17.1.4,1.17.3.293,97
190.0603b9jC0.2826.420.0420.4911.17.3.2,1.17.1.4NA

(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
00.280.7993.180.120.952vsgA GO:0005886 GO:0016020 GO:0020012 GO:0031225
10.210.8752.480.150.991vsgA GO:0005886 GO:0016020 GO:0020012 GO:0031225
20.090.5033.910.100.655jdoA GO:0016020 GO:0016021
30.070.4764.570.060.643qweA GO:0002230 GO:0005096 GO:0005622 GO:0005829 GO:0007165 GO:0034260 GO:0035556 GO:0043547 GO:0046872 GO:0051056 GO:0098779 GO:0098792
40.070.4734.550.040.644akvB GO:0000281 GO:0005737 GO:0005768 GO:0005829 GO:0006810 GO:0006886 GO:0006897 GO:0007032 GO:0007049 GO:0007067 GO:0015031 GO:0016020 GO:0016023 GO:0016050 GO:0016197 GO:0017038 GO:0019898 GO:0030659 GO:0031410 GO:0035091 GO:0036089 GO:0042802 GO:0044351 GO:0045806 GO:0051044 GO:0051301 GO:0097320 GO:2000009 GO:2000010
50.070.4664.640.060.642rajA GO:0000281 GO:0001726 GO:0005545 GO:0005737 GO:0005768 GO:0005794 GO:0005802 GO:0005886 GO:0005913 GO:0006810 GO:0006886 GO:0006897 GO:0006898 GO:0007049 GO:0007067 GO:0008289 GO:0015031 GO:0016020 GO:0016023 GO:0016050 GO:0016197 GO:0030136 GO:0030659 GO:0031234 GO:0031410 GO:0031625 GO:0032461 GO:0035091 GO:0036089 GO:0042803 GO:0042995 GO:0043547 GO:0045860 GO:0051044 GO:0051301 GO:0060988 GO:0070062 GO:0071933 GO:0097320 GO:0098609 GO:0098641
60.070.4724.550.050.624iwoA GO:0000166 GO:0002218 GO:0002376 GO:0003676 GO:0004672 GO:0004674 GO:0005524 GO:0005737 GO:0005829 GO:0006468 GO:0006954 GO:0007249 GO:0009615 GO:0010008 GO:0010629 GO:0016032 GO:0016301 GO:0016310 GO:0016740 GO:0018105 GO:0032480 GO:0032481 GO:0032606 GO:0032727 GO:0032728 GO:0033138 GO:0035666 GO:0043123 GO:0044565 GO:0045087 GO:0045359 GO:0045944 GO:0050830 GO:0051219 GO:0051607 GO:1901214 GO:1904417
70.060.4415.480.050.662d4yA GO:0005198 GO:0005576 GO:0009288 GO:0009424 GO:0044780 GO:0071973
80.060.4785.520.120.734ut1A GO:0005198 GO:0009424 GO:0044780
90.060.3175.860.030.504l4uA GO:0000160 GO:0000166 GO:0003677 GO:0005524 GO:0005622 GO:0006351 GO:0006355 GO:0008134 GO:0043565
100.060.4483.940.040.584iw0A GO:0000166 GO:0002218 GO:0002376 GO:0003676 GO:0004672 GO:0004674 GO:0005524 GO:0005737 GO:0005829 GO:0006468 GO:0006954 GO:0007249 GO:0009615 GO:0010008 GO:0010629 GO:0016032 GO:0016301 GO:0016310 GO:0016740 GO:0018105 GO:0032480 GO:0032481 GO:0032606 GO:0032727 GO:0032728 GO:0033138 GO:0035666 GO:0043123 GO:0044565 GO:0045087 GO:0045359 GO:0045944 GO:0050830 GO:0051219 GO:0051607 GO:1901214 GO:1904417
110.060.3016.120.050.491lpfA GO:0004148 GO:0005737 GO:0006096 GO:0016491 GO:0016668 GO:0045454 GO:0050660 GO:0055114
120.060.2865.200.050.414xtrA GO:0000166 GO:0000750 GO:0005085 GO:0005524 GO:0005737 GO:0005783 GO:0005794 GO:0006620 GO:0006810 GO:0006890 GO:0009408 GO:0010038 GO:0016192 GO:0016787 GO:0016887 GO:0042802 GO:0043529 GO:0043547 GO:0045048 GO:0046685 GO:0046872 GO:0051082 GO:1990507
130.060.2346.570.060.432w5vA GO:0003824 GO:0008152 GO:0016311 GO:0016791 GO:0046872
140.060.2666.740.040.492wssA GO:0000166 GO:0005524 GO:0005739 GO:0005743 GO:0005753 GO:0005886 GO:0006754 GO:0006810 GO:0006811 GO:0015986 GO:0015991 GO:0015992 GO:0016020 GO:0016820 GO:0033178 GO:0045261 GO:0046034 GO:0046933 GO:0046961
150.060.2586.320.030.444dziC GO:0016787
160.060.2836.580.070.503kx6A GO:0003824 GO:0004332 GO:0006096 GO:0016829
170.060.2755.290.040.411aj8A GO:0003824 GO:0005737 GO:0006099 GO:0008152 GO:0016740 GO:0046912
180.060.2406.430.030.412dybA GO:0002479 GO:0005737 GO:0005768 GO:0005829 GO:0006955 GO:0008289 GO:0010008 GO:0016020 GO:0016176 GO:0032010 GO:0032266 GO:0035091 GO:0043020 GO:0043085 GO:0045454 GO:0046983 GO:0048010 GO:0055114


Consensus prediction of GO terms
 
Molecular Function GO:0005096 GO:0046872 GO:0035091 GO:0042802
GO-Score 0.07 0.07 0.07 0.07
Biological Processes GO:0020012
GO-Score 0.43
Cellular Component GO:0005886 GO:0031225
GO-Score 0.43 0.43

(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.