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I-TASSER results for job id Rv1362c

[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
10.09 3 2agvA PTY Rep, Mult 73,132,136,139
20.06 2 2w6dA GDP Rep, Mult 181,182,184,185,203
30.06 2 3ucpA MG Rep, Mult 208,210,213
40.03 1 2w6dB CPL Rep, Mult 73,76,77,131,132,134
50.03 1 2d4cA CA Rep, Mult 30,34
60.03 1 1gkcB CA Rep, Mult 156,159
70.03 1 2dqsA PTY Rep, Mult 73,77,84
80.03 1 1dfvA SO4 Rep, Mult 190,200,218,220
90.03 1 4ecgA CA Rep, Mult 117,123
100.03 1 2ppqA MG Rep, Mult 63,174
110.03 1 3d6aA MG Rep, Mult 120,121
120.03 1 1fa0A MN Rep, Mult 174,183
130.03 1 3adcA MG Rep, Mult 115,183

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
10.0603a1cB0.2314.940.0120.3453.6.3.-NA
20.0603btaA0.4144.900.0370.6183.4.24.69NA
30.0601eulA0.4795.710.0390.7913.6.3.8NA
40.0603hz3A0.3756.140.0430.6962.4.1.5NA
50.0602qb0B0.1705.670.0220.2863.2.1.17190
60.0601zvuA0.3954.630.0180.5595.99.1.-NA
70.0601y2mB0.3744.800.0670.5684.3.1.24NA
80.0603czoB0.3374.750.0550.5004.3.1.3NA
90.0602hc8A0.1554.260.0730.2183.6.3.-183,185,214
100.0603ixzA0.4895.370.0380.7863.6.3.10NA
110.0601k7wD0.3714.460.0750.5274.3.2.1NA
120.0601u7lA0.3665.240.0910.5733.6.3.14NA
130.0601tj7A0.3744.380.0450.5234.3.2.1NA
140.0603b8cA0.4404.500.0380.6053.6.3.6NA
150.0601i0aA0.3444.530.0480.5004.3.2.1NA
160.0601w27A0.3995.060.0450.6054.3.1.24NA
170.0603no9A0.3664.410.1050.5234.2.1.229,177
180.0601mhsA0.4465.500.0720.7543.6.3.6NA
190.0601mo7A0.1535.530.0330.2413.6.3.919,205,214

(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
00.110.5493.550.040.704gnkE GO:0003073 GO:0004435 GO:0004629 GO:0004871 GO:0005509 GO:0005516 GO:0005654 GO:0005829 GO:0005913 GO:0006629 GO:0006892 GO:0007165 GO:0007186 GO:0007223 GO:0007268 GO:0008081 GO:0016020 GO:0016042 GO:0016787 GO:0035556 GO:0042383 GO:0043234 GO:0043647 GO:0098609 GO:0098641
10.110.6173.200.090.771jadA GO:0004435 GO:0004629 GO:0004871 GO:0005509 GO:0005829 GO:0006629 GO:0007165 GO:0008081 GO:0016042 GO:0016787 GO:0035556
20.070.5694.650.040.785c1fA GO:0001786 GO:0005547 GO:0005737 GO:0005826 GO:0005829 GO:0005856 GO:0007049 GO:0007067 GO:0051301 GO:0070273 GO:1903475
30.070.5963.520.050.784dylA GO:0000166 GO:0001578 GO:0004672 GO:0004713 GO:0004715 GO:0005524 GO:0005737 GO:0005794 GO:0005829 GO:0005856 GO:0005886 GO:0005925 GO:0006468 GO:0006935 GO:0007173 GO:0007275 GO:0008017 GO:0008283 GO:0008289 GO:0008360 GO:0010976 GO:0015630 GO:0016020 GO:0016023 GO:0016301 GO:0016310 GO:0016740 GO:0018108 GO:0030054 GO:0030155 GO:0031116 GO:0031234 GO:0031410 GO:0034987 GO:0035091 GO:0038083 GO:0042127 GO:0043304 GO:0045087 GO:0045595 GO:0045639 GO:0046777 GO:0051297 GO:0060627 GO:2000145 GO:2000251
40.070.5484.520.060.782efkA GO:0001891 GO:0005086 GO:0005096 GO:0005654 GO:0005737 GO:0005764 GO:0005794 GO:0005802 GO:0005829 GO:0005856 GO:0005886 GO:0005938 GO:0006897 GO:0007154 GO:0007165 GO:0008289 GO:0016020 GO:0016192 GO:0030036 GO:0042802 GO:0042995 GO:0043231 GO:0043547 GO:0048471 GO:0051056 GO:0070062
50.070.4944.860.060.753syvC GO:0005654 GO:0005737 GO:0005768 GO:0005802 GO:0005886 GO:0006897 GO:0008092 GO:0008289 GO:0016020 GO:0019855 GO:0045806 GO:0051044 GO:0051926 GO:0070062 GO:0097320
60.070.4664.740.030.703qniA GO:0005543 GO:0005737 GO:0005768 GO:0005829 GO:0005886 GO:0006897 GO:0007015 GO:0008092 GO:0008289 GO:0016020 GO:0030054 GO:0030100 GO:0030137 GO:0030659 GO:0031410 GO:0032587 GO:0042995 GO:0043005 GO:0043209 GO:0043679 GO:0045202 GO:0045806 GO:0048471 GO:0048488 GO:0048666 GO:0048812 GO:0072657 GO:0090002 GO:0097320 GO:1900006
70.070.5274.140.040.702v0oA GO:0001786 GO:0005546 GO:0005886 GO:0005905 GO:0006897 GO:0010324 GO:0016020 GO:0030136 GO:0035091 GO:0048268 GO:0072583 GO:0072659
80.070.4943.570.050.623g9gA GO:0000144 GO:0000147 GO:0001400 GO:0004857 GO:0005934 GO:0005935 GO:0006897 GO:0007049 GO:0032185 GO:0042802 GO:0043086 GO:0061645
90.070.5524.830.050.784wpeA GO:0000142 GO:0000144 GO:0000281 GO:0000917 GO:0005737 GO:0005856 GO:0005935 GO:0007049 GO:0007067 GO:0008092 GO:0044697 GO:0051301 GO:0090339
100.060.4654.890.060.723syvB GO:0005654 GO:0005737 GO:0005768 GO:0005802 GO:0005886 GO:0006897 GO:0008092 GO:0008289 GO:0016020 GO:0019855 GO:0045806 GO:0051044 GO:0051926 GO:0070062 GO:0097320
110.060.4804.660.040.713q0kD GO:0005215 GO:0005654 GO:0005737 GO:0005768 GO:0005769 GO:0005829 GO:0005856 GO:0005886 GO:0005901 GO:0005911 GO:0005913 GO:0005925 GO:0006897 GO:0008092 GO:0008289 GO:0016020 GO:0019898 GO:0030036 GO:0030100 GO:0030659 GO:0031410 GO:0032587 GO:0036010 GO:0042802 GO:0042995 GO:0043231 GO:0045806 GO:0048858 GO:0055038 GO:0070062 GO:0070300 GO:0070836 GO:0072584 GO:0097320 GO:0098609 GO:0098641
120.060.4474.790.070.683i2wA GO:0000281 GO:0005543 GO:0005768 GO:0005829 GO:0005886 GO:0007053 GO:0007112 GO:0007269 GO:0008289 GO:0030100 GO:0030496 GO:0032154 GO:0036090 GO:0045211 GO:0045887 GO:0048488 GO:0061024 GO:0071212
130.060.4824.850.030.744bneA GO:0005737 GO:0005768 GO:0005769 GO:0005802 GO:0005829 GO:0005856 GO:0005886 GO:0005901 GO:0005925 GO:0006897 GO:0008092 GO:0008289 GO:0016020 GO:0030036 GO:0030054 GO:0030100 GO:0030659 GO:0031410 GO:0032587 GO:0042995 GO:0045806 GO:0055038 GO:0070300 GO:0070836 GO:0097320
140.060.4634.710.040.703haiA GO:0005543 GO:0005737 GO:0005768 GO:0005829 GO:0005886 GO:0006897 GO:0007015 GO:0008092 GO:0008289 GO:0016020 GO:0030054 GO:0030100 GO:0030137 GO:0030659 GO:0031410 GO:0032587 GO:0042995 GO:0043005 GO:0043209 GO:0043679 GO:0045202 GO:0045806 GO:0048471 GO:0048488 GO:0048666 GO:0048812 GO:0072657 GO:0090002 GO:0097320 GO:1900006
150.060.4455.010.030.693i2wB GO:0000281 GO:0005543 GO:0005768 GO:0005829 GO:0005886 GO:0007053 GO:0007112 GO:0007269 GO:0008289 GO:0030100 GO:0030496 GO:0032154 GO:0036090 GO:0045211 GO:0045887 GO:0048488 GO:0061024 GO:0071212
160.060.4554.930.060.703m3wB GO:0005654 GO:0005737 GO:0005768 GO:0005802 GO:0005886 GO:0006897 GO:0008092 GO:0008289 GO:0016020 GO:0019855 GO:0045806 GO:0051044 GO:0051926 GO:0070062 GO:0097320
170.060.4063.890.050.542lemA GO:0001523 GO:0001540 GO:0001932 GO:0001935 GO:0002740 GO:0005319 GO:0005543 GO:0005548 GO:0005576 GO:0005615 GO:0005634 GO:0005829 GO:0006629 GO:0006644 GO:0006656 GO:0006695 GO:0006810 GO:0006869 GO:0006898 GO:0007186 GO:0007229 GO:0007584 GO:0008035 GO:0008104 GO:0008202 GO:0008203 GO:0008211 GO:0008289 GO:0009986 GO:0010804 GO:0010873 GO:0010898 GO:0010903 GO:0015485 GO:0015914 GO:0017127 GO:0018158 GO:0018206 GO:0019433 GO:0019899 GO:0019915 GO:0030139 GO:0030300 GO:0030301 GO:0030325 GO:0031100 GO:0031103 GO:0031210 GO:0031410 GO:0032489 GO:0033344 GO:0033700 GO:0034115 GO:0034190 GO:0034191 GO:0034361 GO:0034364 GO:0034365 GO:0034366 GO:0034372 GO:0034375 GO:0034380 GO:0035025 GO:0042157 GO:0042158 GO:0042493 GO:0042627 GO:0042632 GO:0042802 GO:0043534 GO:0043627 GO:0043691 GO:0045499 GO:0045723 GO:0046470 GO:0050713 GO:0050728 GO:0050821 GO:0050919 GO:0051006 GO:0051180 GO:0051345 GO:0051346 GO:0051496 GO:0055091 GO:0055102 GO:0060192 GO:0060228 GO:0060354 GO:0060761 GO:0070062 GO:0070328 GO:0070508 GO:0070653 GO:0071813 GO:0072562 GO:1900026 GO:1903561
180.060.2414.130.040.344k2pA GO:0003300 GO:0005057 GO:0005085 GO:0005089 GO:0005634 GO:0005737 GO:0005829 GO:0005874 GO:0005886 GO:0005911 GO:0006915 GO:0007160 GO:0007165 GO:0008017 GO:0008289 GO:0010976 GO:0016020 GO:0016477 GO:0016601 GO:0017016 GO:0019900 GO:0030054 GO:0030335 GO:0030676 GO:0030971 GO:0031234 GO:0032092 GO:0032587 GO:0035023 GO:0035556 GO:0036477 GO:0042220 GO:0043025 GO:0043065 GO:0043197 GO:0043507 GO:0044291 GO:0044295 GO:0044304 GO:0045202 GO:0048013 GO:0048365 GO:0050772 GO:0051056 GO:0060071 GO:0061003 GO:0061178 GO:0070372 GO:0072657 GO:0090630 GO:1904268 GO:1904338 GO:1990138 GO:2000050


Consensus prediction of GO terms
 
Molecular Function GO:0004629 GO:0046872
GO-Score 0.42 0.42
Biological Processes GO:0007154 GO:0050794 GO:0044700 GO:0051716 GO:1901575 GO:0044712 GO:0044238
GO-Score 0.52 0.52 0.52 0.52 0.42 0.42 0.36
Cellular Component GO:0043232 GO:0005829 GO:0031981
GO-Score 0.37 0.36 0.34

(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.