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I-TASSER results for job id Rv2426c

[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
10.42 61 4lzzM 08T Rep, Mult 25,52,55,56,57,58,138,139,181,214,244,245,248
20.07 10 2qbyB MG Rep, Mult 57,138,181
30.03 5 3u60E MG Rep, Mult 57,138,139,245
40.01 1 1r6bX MG Rep, Mult 56,57,179
50.01 1 2awb6 III Rep, Mult 59,60,61,62,63,64,65,69

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
10.1893b9pA0.5673.650.1870.7083.6.4.355,57,138,181,211
20.1171in5A0.6063.790.1800.7533.6.4.12NA
30.0671nsfA0.5454.260.1560.7183.6.4.656
40.0662c9oC0.6234.050.1750.7803.6.1.-NA
50.0602db3A0.4305.770.0530.6773.6.4.13NA
60.0602hyiI0.4305.530.0960.6463.6.4.1357
70.0601jbwA0.4175.410.0610.6226.3.2.17NA
80.0602tmdA0.4095.750.0740.6361.5.8.253,148,177
90.0602uv8G0.4185.470.0710.6322.3.1.86NA
100.0603kx2B0.4614.920.0810.6363.6.4.1353,57,95
110.0601hv8A0.4535.560.0930.6733.6.4.1357,99,139,244
120.0603i62A0.4265.470.0750.6293.6.4.13NA
130.0602w00B0.4465.800.0750.6843.1.21.3125
140.0603etcB0.4185.650.0820.6566.2.1.-NA
150.0602c9oA0.6224.020.1840.7803.6.4.12NA
160.0603fccA0.4165.640.0600.6366.1.1.13NA
170.0601a5tA0.5264.290.1170.7052.7.7.726,53,202,217
180.0601q16A0.3885.930.0460.6321.7.99.4NA
190.0602vkzG0.4175.520.0670.6362.3.1.38,3.1.2.14NA
200.0603e7wA0.3796.390.0350.6536.1.1.13NA
210.0601ixsB0.6173.900.1890.7733.6.4.12NA
220.0603hz3A0.4166.430.0470.7112.4.1.563,196
230.0601njgA0.5503.800.2030.6942.7.7.755,61,139,198

(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
00.430.5764.520.130.771ofhA GO:0000166 GO:0005524 GO:0005737 GO:0006508 GO:0009376 GO:0016887 GO:0043335 GO:0070011
10.390.6024.410.110.782qbyB GO:0000166 GO:0003677 GO:0005524 GO:0006260
20.380.7331.760.190.785c3cB GO:0005524 GO:0016887
30.260.5883.440.200.713whkA GO:0000166 GO:0000502 GO:0005524 GO:0005634 GO:0005737 GO:0006511 GO:0008540 GO:0010498 GO:0016787 GO:0016887 GO:0017025 GO:0022623 GO:0030163 GO:0030433 GO:0031595 GO:0031597 GO:0036402 GO:0043335 GO:0045899 GO:0070682 GO:1901800
40.250.5713.570.150.701ksfX GO:0000166 GO:0004176 GO:0005524 GO:0005829 GO:0006508 GO:0006979 GO:0016887 GO:0019538 GO:0043335
50.240.6234.010.210.783uk6F GO:0000166 GO:0000812 GO:0000979 GO:0000980 GO:0001094 GO:0003678 GO:0004003 GO:0004386 GO:0005524 GO:0005622 GO:0005634 GO:0005654 GO:0005719 GO:0005737 GO:0006281 GO:0006310 GO:0006338 GO:0006351 GO:0006355 GO:0006457 GO:0006974 GO:0016020 GO:0016363 GO:0016568 GO:0016787 GO:0016887 GO:0030529 GO:0031011 GO:0031490 GO:0032508 GO:0034644 GO:0035066 GO:0035267 GO:0040008 GO:0042802 GO:0042803 GO:0043141 GO:0043531 GO:0043967 GO:0043968 GO:0045944 GO:0051082 GO:0051117 GO:0070062 GO:0071169 GO:0071339 GO:0071392 GO:0071733 GO:0071899 GO:0097255 GO:1904874
60.240.6284.490.100.841w5sB GO:0000166 GO:0003677 GO:0005524 GO:0006260
70.240.6314.080.170.792xszC GO:0000166 GO:0000812 GO:0003678 GO:0004386 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005794 GO:0005815 GO:0005856 GO:0005913 GO:0006281 GO:0006310 GO:0006351 GO:0006355 GO:0006357 GO:0006974 GO:0007049 GO:0007067 GO:0007283 GO:0016020 GO:0016363 GO:0016568 GO:0016787 GO:0016887 GO:0031011 GO:0032508 GO:0034080 GO:0035267 GO:0040008 GO:0043231 GO:0043967 GO:0043968 GO:0051301 GO:0070062 GO:0071339 GO:0097255 GO:0098609 GO:0098641 GO:1903146 GO:1903955 GO:1904837 GO:1904874
80.230.6033.400.150.734l4uA GO:0000160 GO:0000166 GO:0003677 GO:0005524 GO:0005622 GO:0006351 GO:0006355 GO:0008134 GO:0043565
90.220.6514.450.110.861fnnA GO:0000166 GO:0005524 GO:0006260 GO:0051301
100.210.6044.400.140.802v1uA GO:0000166 GO:0003677 GO:0005524 GO:0006260
110.210.6194.380.130.802qbyA GO:0000166 GO:0003677 GO:0005524 GO:0006260
120.210.6233.870.180.783uk6G GO:0000166 GO:0000812 GO:0000979 GO:0000980 GO:0001094 GO:0003678 GO:0004003 GO:0004386 GO:0005524 GO:0005622 GO:0005634 GO:0005654 GO:0005719 GO:0005737 GO:0006281 GO:0006310 GO:0006338 GO:0006351 GO:0006355 GO:0006457 GO:0006974 GO:0016020 GO:0016363 GO:0016568 GO:0016787 GO:0016887 GO:0030529 GO:0031011 GO:0031490 GO:0032508 GO:0034644 GO:0035066 GO:0035267 GO:0040008 GO:0042802 GO:0042803 GO:0043141 GO:0043531 GO:0043967 GO:0043968 GO:0045944 GO:0051082 GO:0051117 GO:0070062 GO:0071169 GO:0071339 GO:0071392 GO:0071733 GO:0071899 GO:0097255 GO:1904874
130.210.6173.900.190.771ixsB GO:0000166 GO:0003677 GO:0004386 GO:0005524 GO:0006281 GO:0006310 GO:0006974 GO:0009378 GO:0009432 GO:0016787 GO:0032508
140.200.5643.320.220.682qz4A GO:0000166 GO:0004176 GO:0004222 GO:0005524 GO:0005739 GO:0006508 GO:0007005 GO:0007155 GO:0007399 GO:0008089 GO:0008233 GO:0008237 GO:0008270 GO:0016020 GO:0016021 GO:0016787 GO:0031966 GO:0046872 GO:0051082 GO:1904115
150.180.5694.560.140.761g3iA GO:0000166 GO:0005524 GO:0005737 GO:0006508 GO:0009376 GO:0016887 GO:0043335 GO:0070011
160.150.6053.250.140.735exxA GO:0000160 GO:0000166 GO:0003677 GO:0005524 GO:0005622 GO:0006351 GO:0006355 GO:0008134 GO:0043565 GO:0044212 GO:0045785 GO:2000155
170.090.6473.690.120.813k1jA GO:0000166 GO:0004176 GO:0004252 GO:0005524 GO:0006355 GO:0006508 GO:0008134 GO:0008233 GO:0016020 GO:0016021 GO:0030163
180.070.6304.050.160.794ww4B GO:0000166 GO:0003678 GO:0004386 GO:0005524 GO:0005634 GO:0006281 GO:0006351 GO:0006355 GO:0006974 GO:0016568 GO:0016787 GO:0032508 GO:0043141
190.070.6063.790.180.751in5A GO:0000166 GO:0003677 GO:0004386 GO:0005524 GO:0006281 GO:0006310 GO:0006974 GO:0009378 GO:0009432 GO:0016787 GO:0032508
200.070.6224.020.180.782c9oA GO:0000166 GO:0000812 GO:0003678 GO:0004386 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005794 GO:0005815 GO:0005856 GO:0005913 GO:0006281 GO:0006310 GO:0006351 GO:0006355 GO:0006357 GO:0006974 GO:0007049 GO:0007067 GO:0007283 GO:0016020 GO:0016363 GO:0016568 GO:0016787 GO:0016887 GO:0031011 GO:0032508 GO:0034080 GO:0035267 GO:0040008 GO:0043231 GO:0043967 GO:0043968 GO:0051301 GO:0070062 GO:0071339 GO:0097255 GO:0098609 GO:0098641 GO:1903146 GO:1903955 GO:1904837 GO:1904874
210.070.6243.950.170.784wvyA GO:0000166 GO:0003678 GO:0004386 GO:0005524 GO:0005634 GO:0006281 GO:0006351 GO:0006355 GO:0006974 GO:0016568 GO:0016787 GO:0032508 GO:0043141
220.070.6144.060.130.794fw9A GO:0004176 GO:0004252 GO:0005524 GO:0006508 GO:0030163


Consensus prediction of GO terms
 
Molecular Function GO:0005524 GO:0042623 GO:0008134 GO:0070011 GO:0003677
GO-Score 0.88 0.53 0.53 0.43 0.39
Biological Processes GO:0043335 GO:0060261 GO:0036503 GO:0045898 GO:0061136 GO:0043161 GO:1903052 GO:0043248 GO:0006260
GO-Score 0.68 0.53 0.53 0.53 0.53 0.53 0.53 0.53 0.39
Cellular Component GO:0031981 GO:0005838 GO:0009376
GO-Score 0.53 0.53 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.