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

I-TASSER results for job id Rv0885

[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
10.39 51 4n83B MN Rep, Mult 101,132,135,183,215
20.22 34 5k53A FE Rep, Mult 132,183,215,218
30.01 2 3chtA 4NB Rep, Mult 93,97,100,101,132,183,190,211,215
40.01 1 1xvgA BRJ Rep, Mult 40,41,43,134,137,138
50.01 1 2jcd0 III Rep, Mult 10,11,33,34,41,42,45,95,98,99,102,103,107,113,119,123,126,127,130,133,134,136,137,140,141,143,144,147,157
60.01 2 1xvbA BHL Rep, Mult 100,101,104,132,179,182,183,186,187,189,190,215

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
10.3623ee4A0.5744.210.1010.7271.17.4.1139
20.1771uzrB0.5744.220.0910.7321.17.4.1NA
30.0671h0nA0.5674.200.0830.7181.17.4.1NA
40.0671smsA0.5704.050.0720.7211.17.4.1NA
50.0671syyA0.5824.330.0880.7441.17.4.1139
60.0602rccA0.5594.420.0590.7271.17.4.130
70.0601rsrB0.5904.390.0810.7591.17.4.129,216,296
80.0602bq1I0.5674.370.0890.7351.17.4.1NA
90.0601jk0A0.5764.100.0730.7291.17.4.1NA
100.0603fg3A0.4875.760.0360.7274.2.1.92,1.13.11.40NA
110.0601fziA0.6464.300.0920.8291.14.13.25NA
120.0601iw1A0.4033.970.0740.5091.14.99.3NA
130.0602qcxB0.4454.110.0460.5593.5.99.2NA
140.0601biqB0.5894.320.0780.7561.17.4.1139
150.0603no6A0.4054.370.0330.5293.5.99.2177
160.0601no3A0.5055.620.0410.7501.13.11.12NA
170.0602vuxB0.5333.950.0760.6651.17.4.1NA
180.0602p0mB0.4435.850.0420.6591.13.11.33210
190.0601mhyB0.6044.720.0600.8151.14.13.2598,138
200.0603hf1B0.5734.070.0700.7211.17.4.1NA
210.0602rgzB0.4104.510.0750.5501.14.99.3128
220.0602iukB0.5125.700.0410.7591.13.11.12NA
230.0601xvgC0.6034.790.0530.8211.14.13.2598,138,219
240.0603dy5A0.4665.580.0330.6761.13.11.40,4.2.1.92NA

(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
00.270.6464.300.090.831fziA GO:0004497 GO:0006725 GO:0006730 GO:0015049 GO:0015050 GO:0015947 GO:0016491 GO:0046872 GO:0055114
10.240.5714.280.060.724dr0B GO:0004748 GO:0005971 GO:0006260 GO:0009186 GO:0009263 GO:0016491 GO:0046872 GO:0055114
20.220.6334.500.070.843dhiA GO:0004497 GO:0006725 GO:0016491 GO:0019439 GO:0042203 GO:0046872 GO:0055114
30.210.2185.750.040.343k32B
40.160.8181.750.150.862jcdA GO:0046872
50.120.6464.420.070.841mhyD GO:0004497 GO:0006725 GO:0006730 GO:0015049 GO:0016491 GO:0046872 GO:0055114
60.080.5284.120.100.673dhiB GO:0004497 GO:0006725 GO:0016491 GO:0016709 GO:0019439 GO:0042203 GO:0055114
70.080.6334.540.070.842innA GO:0006725 GO:0016491 GO:0046872 GO:0055114
80.070.6354.500.070.842incA GO:0004497 GO:0006725 GO:0016491 GO:0046872 GO:0055114
90.070.6044.720.060.811mhyB GO:0004497 GO:0006725 GO:0006730 GO:0015049 GO:0016491 GO:0016709 GO:0055114
100.060.2836.970.040.513eddA GO:0003824 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0046872 GO:0047798
110.060.3036.950.040.532y27B GO:0000166 GO:0003824 GO:0005524 GO:0008152 GO:0010124 GO:0016874 GO:0046872 GO:0047475
120.060.2716.580.020.463eiwA
130.060.2936.520.080.483gw3A GO:0001889 GO:0004853 GO:0005654 GO:0005737 GO:0005829 GO:0006779 GO:0006782 GO:0006783 GO:0008198 GO:0010039 GO:0014070 GO:0014075 GO:0016829 GO:0016831 GO:0032355 GO:0042168 GO:0045471 GO:0046502 GO:0046689 GO:0051597 GO:0060992 GO:0071243
140.060.2226.120.040.351q7fB GO:0005622 GO:0005737 GO:0006417 GO:0006909 GO:0007400 GO:0007402 GO:0007405 GO:0007406 GO:0007411 GO:0007419 GO:0007420 GO:0008270 GO:0008285 GO:0008356 GO:0008582 GO:0009303 GO:0017148 GO:0022008 GO:0030182 GO:0030371 GO:0035282 GO:0043025 GO:0045179 GO:0045180 GO:0045182 GO:0046872 GO:0048477 GO:0050767 GO:0051726 GO:0055060 GO:1900242
150.060.2115.500.040.311k4nA GO:0005829
160.060.1865.420.010.273wx8A GO:0000166 GO:0000287 GO:0004550 GO:0005524 GO:0005525 GO:0005737 GO:0005856 GO:0005874 GO:0005875 GO:0005880 GO:0005886 GO:0006163 GO:0006165 GO:0006183 GO:0006220 GO:0006228 GO:0006241 GO:0006468 GO:0007017 GO:0007067 GO:0007424 GO:0007427 GO:0008017 GO:0009117 GO:0009142 GO:0016301 GO:0016310 GO:0016334 GO:0016740 GO:0018105 GO:0034332 GO:0035152 GO:0046777 GO:0046872
170.060.2084.300.030.272lznA GO:0000287 GO:0003677 GO:0003678 GO:0003896 GO:0003899 GO:0005524 GO:0006260 GO:0006269 GO:0008270 GO:0016740 GO:0016779 GO:0032508 GO:0046872 GO:1990077
180.060.1815.900.030.283tfmA GO:0000166 GO:0001726 GO:0003774 GO:0003779 GO:0005516 GO:0005524 GO:0005547 GO:0005730 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005938 GO:0006810 GO:0008360 GO:0016020 GO:0016459 GO:0022409 GO:0030027 GO:0030175 GO:0030507 GO:0030705 GO:0030898 GO:0031527 GO:0032433 GO:0042995 GO:0043005 GO:0043025 GO:0051015 GO:0051489 GO:0060002


Consensus prediction of GO terms
 
Molecular Function GO:0046872 GO:0016709 GO:0061731
GO-Score 0.64 0.54 0.48
Biological Processes GO:0055114 GO:0043446 GO:0009262 GO:0006259 GO:1901137 GO:0009165 GO:0034645 GO:0009132 GO:0042178 GO:0018970 GO:0072491
GO-Score 0.56 0.54 0.48 0.48 0.48 0.48 0.48 0.48 0.44 0.44 0.44
Cellular Component GO:1990204 GO:0044445
GO-Score 0.54 0.48

(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.