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I-TASSER results for job id Rv0891c

[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
10.38 49 4wp8B ZDA Rep, Mult 97,98,100,101,102,140,141,142,172
20.19 31 1wc0A APC Rep, Mult 95,138,145,186,187,188,192,193,196,197,236
30.09 10 2bw7A ECS Rep, Mult 95,97,140,143,193,196,197,199,200
40.08 12 1cs4B FOK Rep, Mult 101,102,105,140,141,142
50.02 4 1wc6A MG Rep, Mult 97,140,142,143
60.01 1 1y10D CA Rep, Mult 70,193
70.01 2 2gvdB 128 Rep, Mult 95,188,189,190,193,196,237
80.00 1 1fx2A DTT Rep, Mult 162,165,166,167,169,170,171,205,253

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
10.4321wc4A0.5042.860.1890.5754.6.1.1197
20.4212wz1A0.5332.550.1810.5974.6.1.2197
30.3831cjkB0.5072.500.1170.5724.6.1.1197
40.3681fx4A0.5532.870.3130.6214.6.1.1197
50.3481fx2A0.5552.800.2900.6214.6.1.1197
60.0602pdaA0.4165.960.0560.6771.2.7.1NA
70.0602rnpC0.3096.570.0080.5372.7.7.6NA
80.0601qd1B0.3235.470.0320.4772.1.2.5,4.3.1.4NA
90.0601azsA0.4992.550.1390.5614.6.1.1NA
100.0603c46B0.3795.970.0340.6042.7.7.6NA
110.0601yk9A0.4922.510.1850.5584.6.1.1197
120.0601ub2A0.4026.230.0560.6771.11.1.7NA
130.0602w01A0.5322.150.2140.5794.6.1.2197
140.0602ow6A0.4016.490.0460.6813.2.1.114NA
150.0601i8qA0.4285.980.0440.6914.2.2.1151
160.0601b0pA0.4146.420.0500.7161.2.7.1107
170.0601mswD0.3814.770.0260.5332.7.7.6NA
180.0601rw9A0.4575.920.0440.7304.2.2.5NA
190.0603ciaA0.4005.680.0490.6213.4.11.-NA
200.0602cfmA0.4026.560.0510.7026.5.1.1NA
210.0601z1wA0.4485.780.0640.7093.4.11.-NA
220.0602pfdB0.4175.890.0620.6702.1.2.5,4.3.1.4178
230.0602g49A0.3106.120.0450.5163.4.24.56NA
240.0601hn0A0.4156.260.0490.7094.2.2.20NA

(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
00.410.5543.580.130.661y11A GO:0000166 GO:0004016 GO:0005524 GO:0005622 GO:0005886 GO:0006171 GO:0007165 GO:0008289 GO:0009190 GO:0009268 GO:0009405 GO:0016829 GO:0016849 GO:0030145 GO:0035556 GO:0046872
10.310.4992.550.140.561azsA GO:0000166 GO:0004016 GO:0005524 GO:0005622 GO:0005886 GO:0005929 GO:0006171 GO:0007189 GO:0007193 GO:0007204 GO:0009190 GO:0016020 GO:0016021 GO:0016829 GO:0016849 GO:0019933 GO:0035556 GO:0042995 GO:0046872 GO:0061178 GO:0072372 GO:1904322
20.310.5312.050.280.581ybtB GO:0004016 GO:0004383 GO:0004601 GO:0005622 GO:0006171 GO:0006182 GO:0009190 GO:0016787 GO:0016849 GO:0030145 GO:0035556 GO:0042803 GO:0046872 GO:0098869
30.310.5552.800.290.621fx2A GO:0000166 GO:0004016 GO:0005524 GO:0005622 GO:0006171 GO:0009190 GO:0016020 GO:0016021 GO:0016829 GO:0016849 GO:0035556 GO:0046872
40.290.7093.100.140.834yutA GO:0005622 GO:0009190 GO:0009785 GO:0009882 GO:0016849 GO:0035556 GO:0071949
50.270.5042.860.190.581wc4A GO:0000155 GO:0000160 GO:0004016 GO:0005622 GO:0006171 GO:0007165 GO:0009190 GO:0016310 GO:0016772 GO:0016829 GO:0016849 GO:0018298 GO:0023014 GO:0035556 GO:0046872
60.260.5532.870.310.621fx4A GO:0000166 GO:0004016 GO:0005524 GO:0005622 GO:0006171 GO:0009190 GO:0016020 GO:0016021 GO:0016829 GO:0016849 GO:0035556 GO:0046872
70.260.5072.500.120.571cjkB GO:0000166 GO:0000287 GO:0004016 GO:0005524 GO:0005622 GO:0005737 GO:0005886 GO:0005887 GO:0006171 GO:0007188 GO:0007189 GO:0007193 GO:0008179 GO:0009190 GO:0016020 GO:0016021 GO:0016829 GO:0016849 GO:0019933 GO:0030145 GO:0030425 GO:0031683 GO:0035556 GO:0043234 GO:0045121 GO:0046872 GO:0046982 GO:1904322
80.250.5152.680.200.584ni2A GO:0000166 GO:0004016 GO:0004383 GO:0004872 GO:0005525 GO:0005737 GO:0005886 GO:0006182 GO:0007263 GO:0008015 GO:0008074 GO:0008217 GO:0009190 GO:0009635 GO:0014070 GO:0016829 GO:0016849 GO:0020037 GO:0030828 GO:0035556 GO:0043167 GO:0043234 GO:0046982 GO:0052565 GO:0060087
90.230.5132.420.240.573mr7A GO:0005622 GO:0009190 GO:0016787 GO:0016849 GO:0035556
100.230.5332.530.260.594wp3C GO:0004016 GO:0005622 GO:0006171 GO:0009190 GO:0016829 GO:0016849 GO:0035556
110.220.5322.150.210.582w01A GO:0004016 GO:0005622 GO:0005886 GO:0006171 GO:0007165 GO:0009190 GO:0016020 GO:0016021 GO:0016849 GO:0035556
120.200.5162.420.190.583et6A GO:0000166 GO:0004016 GO:0004383 GO:0005886 GO:0006182 GO:0007165 GO:0008074 GO:0009190 GO:0016829 GO:0016849 GO:0020037 GO:0035556
130.190.5262.090.180.573r5gB GO:0004016 GO:0005622 GO:0005886 GO:0006171 GO:0007165 GO:0009190 GO:0009405 GO:0016020 GO:0016021 GO:0016849 GO:0035556
140.150.5322.400.180.594ni2B GO:0000166 GO:0004016 GO:0004383 GO:0004872 GO:0005525 GO:0005737 GO:0005886 GO:0006182 GO:0007263 GO:0008015 GO:0008074 GO:0009190 GO:0016829 GO:0016849 GO:0020037 GO:0035556 GO:0038060 GO:0043231 GO:0046872 GO:0071732
150.140.5042.840.200.584p2fA GO:0000166 GO:0000287 GO:0004016 GO:0005524 GO:0005622 GO:0005886 GO:0006171 GO:0007165 GO:0009190 GO:0016020 GO:0016021 GO:0016829 GO:0016849 GO:0030145 GO:0035556 GO:0046872
160.070.5383.850.120.664oyzA GO:0000166 GO:0000287 GO:0003351 GO:0004016 GO:0005524 GO:0005634 GO:0005737 GO:0005739 GO:0005829 GO:0005856 GO:0005886 GO:0005929 GO:0006171 GO:0007283 GO:0009190 GO:0015630 GO:0016020 GO:0016829 GO:0016849 GO:0030145 GO:0030424 GO:0030425 GO:0030426 GO:0031514 GO:0035556 GO:0042995 GO:0043025 GO:0043065 GO:0045177 GO:0045178 GO:0046872 GO:0048471 GO:0051117 GO:0071241 GO:0071890
170.060.2956.940.010.574b52A GO:0004222 GO:0006508 GO:0046872
180.060.3006.280.040.513dwlA GO:0000147 GO:0000166 GO:0003779 GO:0005524 GO:0005737 GO:0005829 GO:0005856 GO:0005885 GO:0006897 GO:0030041 GO:0030479 GO:0032153 GO:0034314 GO:0044396 GO:0051285 GO:0051666 GO:1903475
190.060.2316.120.040.391y44A GO:0004518 GO:0004519 GO:0008033 GO:0008270 GO:0016787 GO:0016891 GO:0034414 GO:0042779 GO:0042781 GO:0046872 GO:0090502


Consensus prediction of GO terms
 
Molecular Function GO:0004016 GO:0005524 GO:0030145 GO:0009881 GO:0050660 GO:0008289 GO:0016787 GO:0004601 GO:0004383 GO:0042803
GO-Score 0.81 0.72 0.59 0.57 0.57 0.41 0.31 0.31 0.31 0.31
Biological Processes GO:0006171 GO:0071483 GO:0030522 GO:0009268 GO:0009405 GO:0007204 GO:0061178 GO:0007189 GO:1904322 GO:0019933 GO:0007193 GO:0098869 GO:0006182
GO-Score 0.81 0.57 0.57 0.41 0.41 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31
Cellular Component GO:0005622 GO:0005886 GO:0016021 GO:0072372
GO-Score 0.86 0.59 0.52 0.31

(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.