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I-TASSER results for job id Rv0500B

[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
10.13 550 2wscB CLA Rep, Mult 16,19,20,22,23,25,26
20.12 571 4rqiA III Rep, Mult 13,14,15,16,19
30.10 500 4eoyA CA Rep, Mult 8,9,10,11,12,13
40.09 440 4dv1T MG Rep, Mult 6,7,8,9,10,11
50.09 445 3jcuI CLA Rep, Mult 11,12,13,15,16,17,19
60.08 376 2xi3A GTP Rep, Mult 18,19,22,23,26
70.05 252 2q7mB 2CS Rep, Mult 14,16,17,18,20,21
80.04 197 1i94T MG Rep, Mult 2,3,4,5,6,7
90.04 233 1dpmA EBP Rep, Mult 24,25,28,29
100.03 156 2fbhA ZN Rep, Mult 26,27,28,31
110.02 117 5t6jA III Rep, Mult 1,4,5,7,8,11
120.02 100 3a0hB IOD Rep, Mult 28,29,30,32

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
10.4461ybzA0.8350.690.0611.0005.4.99.59
20.2693brvC0.7681.410.0310.9392.7.11.1021
30.2242h8nA0.8760.590.1211.0003.5.1.9813,20
40.2042jwaA0.7501.390.0940.9392.7.10.1NA
50.2021r7cA0.6082.230.0650.9393.6.1.15NA
60.2013brtA0.7091.610.0630.9392.7.11.1021
70.1871qleD0.7481.080.0611.0001.9.3.18
80.1661vzjF0.6071.280.0940.9703.1.1.727
90.1622k1lA0.5162.080.1610.9092.7.10.1NA
100.1561xtcC0.7640.910.0911.0002.4.2.36NA
110.1341z8yN0.6671.280.0611.0003.4.21.9026
120.1111ecmB0.8731.300.0611.0004.2.1.51,5.4.99.59
130.0671k1fA0.7801.190.0610.8792.7.11.127
140.0672o98P0.7071.600.0610.8493.6.3.6NA
150.0602uz5A0.5880.890.1600.7275.2.1.8NA
160.0603cq0A0.8970.520.0911.0002.2.1.2NA
170.0603hm8A0.8730.600.0611.0002.7.1.1NA
180.0601eumE0.8491.150.0611.0001.16.3.113
190.0602ow6A0.8631.040.0301.0003.2.1.114NA
200.0602ahmE0.6761.940.1000.8792.7.7.48NA
210.0601aamA0.7770.900.0611.0002.6.1.1NA
220.0603e7kH0.9060.500.0911.0002.7.11.1NA
230.0601cxzB0.8960.550.2121.0002.7.11.139,16,20
240.0601xdpA0.8431.120.0611.0002.7.4.1NA
250.0601c3cA0.8620.690.1211.0004.3.2.2NA
260.0601x75B0.7361.180.0330.8795.99.1.321
270.0601mhyB0.8560.620.0301.0001.14.13.25NA
280.0601is2A0.8620.650.0301.0001.3.3.6NA
290.0601wt6B0.8890.540.1521.0002.7.11.111,13
300.0603k9fA0.8820.560.0911.0005.99.1.-NA
310.0603e08A0.8511.040.1211.0001.13.11.11NA
320.0603bfrA0.8600.700.0300.9701.15.1.1NA

(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
00.450.8920.540.061.005appB GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
10.420.8510.830.091.003gjpA GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
20.400.9100.490.031.002efrA GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0003779 GO:0005634 GO:0005667 GO:0005737 GO:0005856 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
30.400.8980.520.061.002wpqA GO:0009405 GO:0019867
40.390.8740.570.121.002ipzA GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
50.390.8440.640.190.971w5jA GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
60.390.9140.470.121.001gk6A GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0001948 GO:0003677 GO:0003682 GO:0003700 GO:0003725 GO:0005198 GO:0005200 GO:0005212 GO:0005634 GO:0005667 GO:0005737 GO:0005777 GO:0005829 GO:0005856 GO:0005882 GO:0005886 GO:0005925 GO:0006351 GO:0006355 GO:0006366 GO:0006928 GO:0008022 GO:0008652 GO:0010628 GO:0010691 GO:0010977 GO:0014002 GO:0016032 GO:0030049 GO:0031012 GO:0031252 GO:0042802 GO:0042995 GO:0043005 GO:0043565 GO:0045103 GO:0045109 GO:0045111 GO:0045899 GO:0060020 GO:0060261 GO:0060395 GO:0070062 GO:0070307 GO:0097110 GO:1903833 GO:1990254
70.390.8560.650.091.002n9bA GO:0000122 GO:0000166 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0001726 GO:0003677 GO:0003682 GO:0003700 GO:0003774 GO:0003779 GO:0005516 GO:0005524 GO:0005547 GO:0005634 GO:0005667 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005938 GO:0006351 GO:0006355 GO:0006366 GO:0006810 GO:0007165 GO:0008360 GO:0008652 GO:0010691 GO:0016020 GO:0016459 GO:0030027 GO:0030705 GO:0030898 GO:0031527 GO:0032433 GO:0042802 GO:0042995 GO:0043565 GO:0045899 GO:0051015 GO:0051489 GO:0060002 GO:0060261 GO:1903833
80.370.9410.370.151.002b9cB GO:0003779 GO:0005737 GO:0005856 GO:0006936 GO:0030049 GO:0030336 GO:0031529 GO:0032781 GO:0042060 GO:0042803 GO:0043234 GO:0043462 GO:0045785 GO:0047485 GO:0051015 GO:0051496 GO:0051693 GO:0060048
90.370.8920.520.121.002xzrA GO:0009405 GO:0019867
100.350.9360.390.031.005dolB GO:0006260
110.340.8720.610.091.005aptB GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
120.310.8980.510.001.003q8tB GO:0000045 GO:0000407 GO:0000910 GO:0001666 GO:0005634 GO:0005737 GO:0005739 GO:0005768 GO:0005776 GO:0005783 GO:0005789 GO:0005794 GO:0005802 GO:0006897 GO:0006914 GO:0006915 GO:0006995 GO:0007040 GO:0007049 GO:0007080 GO:0008285 GO:0010008 GO:0010508 GO:0016020 GO:0016023 GO:0016236 GO:0016239 GO:0019898 GO:0030425 GO:0031410 GO:0031625 GO:0031966 GO:0032258 GO:0032465 GO:0032801 GO:0033197 GO:0034271 GO:0034272 GO:0035032 GO:0042149 GO:0042493 GO:0043066 GO:0043234 GO:0043548 GO:0043652 GO:0044804 GO:0045324 GO:0045335 GO:0048666 GO:0050435 GO:0050790 GO:0051301 GO:0051607 GO:0051707 GO:0060548 GO:0071275 GO:0071364 GO:0098779 GO:1902425 GO:1903599 GO:2000378
130.310.8460.660.091.001kqlA GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
140.280.8980.540.061.002ynyA GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0009405 GO:0010691 GO:0019867 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
150.260.8491.300.091.003ck4C GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
160.260.8950.530.061.002yo3B GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0009405 GO:0010691 GO:0019867 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
170.240.8870.550.091.001c1gA GO:0003779 GO:0005737 GO:0005856
180.240.8960.540.091.004g2kA GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0020002 GO:0033644 GO:0039654 GO:0039663 GO:0042802 GO:0043565 GO:0045899 GO:0046718 GO:0055036 GO:0060261 GO:1903833
190.230.9030.520.091.003wprA GO:0009405 GO:0019867
200.210.9130.470.061.002x7rC GO:0002223 GO:0005198 GO:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0019064 GO:0019082 GO:0020002 GO:0030683 GO:0033644 GO:0039654 GO:0039663 GO:0044174 GO:0044175 GO:0046718 GO:0055036 GO:0075509 GO:0075512
210.190.9010.510.091.005apzA GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
220.080.8820.590.001.003p30A
230.070.8970.520.061.003k9aA
240.070.8610.650.001.003cp1A GO:0005198 GO:0019031
250.070.8760.560.121.003wfvA GO:0005198 GO:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0020002 GO:0033644 GO:0039663 GO:0044174 GO:0044175 GO:0046718 GO:0055036
260.070.8960.520.061.001qbzA GO:0005198 GO:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0020002 GO:0033644 GO:0039663 GO:0044174 GO:0044175 GO:0046718 GO:0055036
270.070.9000.510.151.002ezoA GO:0005198 GO:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0020002 GO:0033644 GO:0039663 GO:0044174 GO:0044175 GO:0046718 GO:0055036


Consensus prediction of GO terms
 
Molecular Function GO:0003682 GO:0001190 GO:0001084 GO:0001135 GO:0000981 GO:0042802 GO:0000978 GO:0003779
GO-Score 0.88 0.88 0.88 0.88 0.88 0.88 0.88 0.40
Biological Processes GO:0001080 GO:0008652 GO:1903833 GO:0010691 GO:0045899 GO:0009405
GO-Score 0.88 0.88 0.88 0.88 0.88 0.40
Cellular Component GO:0000790 GO:0005667 GO:0005737 GO:0005856 GO:0019867
GO-Score 0.88 0.88 0.40 0.40 0.40

(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.