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I-TASSER results for job id Rv1680

[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
10.61 27 3qk6A UNL Rep, Mult 10,46,64,91,121,122,123,161,208
20.03 2 2h4iA UUU Rep, Mult 130,131,260,263,264,267
30.02 1 2dwaA FUC Rep, Mult 90,204,205,206,207,258
40.02 1 2aluA UUU Rep, Mult 125,126,127,128,130
50.02 1 3ugwA DCZ Rep, Mult 85,89,90,91,92

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
10.1372vd2A0.5364.040.1050.6972.4.2.17158,181
20.0773kbrA0.5933.550.0880.7454.2.1.91,4.2.1.518
30.0671ve4A0.5053.770.1100.6532.4.2.17NA
40.0671o64A0.5183.760.1190.6682.4.2.17178
50.0601z7mH0.4963.990.1000.6572.4.2.17160,199
60.0602vhyB0.3326.150.0610.5621.4.1.1165,178
70.0603h9uC0.4355.930.0590.7123.3.1.1NA
80.0601thgA0.4135.680.0460.6683.1.1.3122
90.0602rgyA0.4555.630.0630.7265.1.1.1202
100.0601a7aA0.4295.910.0590.6973.3.1.1NA
110.0602vhwE0.4275.640.0700.6901.4.1.1178
120.0603hnoA0.4276.230.0720.7262.7.1.90NA
130.0601t34A0.4456.000.0400.7264.6.1.2NA
140.0602vd3A0.5184.350.0850.7082.4.2.17181,202
150.0601nh7A0.5054.280.0710.6862.4.2.1712,47,70
160.0603ceaA0.4135.990.0440.6821.1.1.1871
170.0603c3kB0.4525.500.0960.6935.1.1.1NA
180.0603bblA0.4315.650.0650.6795.1.1.1131,196
190.0601ii0B0.4475.740.0640.7153.6.3.16NA
200.0603k2qA0.4195.870.0460.6902.7.1.90NA
210.0603ecrA0.5634.610.0640.7992.5.1.61NA
220.0602de3B0.6684.390.0940.8873.13.1.362,124
230.0603beoA0.4145.380.0360.6355.1.3.14NA

(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
00.360.9111.230.160.953n5lA GO:0015604 GO:0015716 GO:0042916 GO:0042917 GO:0043190 GO:0055085
10.350.9051.220.160.943qk6B GO:0015604 GO:0015716 GO:0043190 GO:0055085
20.230.7473.610.100.951h76A GO:0005576 GO:0005615 GO:0005623 GO:0006810 GO:0006811 GO:0006826 GO:0006879 GO:0008199 GO:0015091 GO:0015682 GO:0046872 GO:0055072
30.230.7373.800.100.951b1xA GO:0001503 GO:0001817 GO:0002227 GO:0002376 GO:0005576 GO:0005615 GO:0006508 GO:0006810 GO:0006811 GO:0008233 GO:0008236 GO:0016787 GO:0019731 GO:0019732 GO:0031665 GO:0032680 GO:0033690 GO:0042581 GO:0043066 GO:0045669 GO:0046872 GO:0055072 GO:0060349 GO:1900159 GO:1900229 GO:1902732 GO:2000308 GO:2001205
40.200.7573.690.110.961jnfA GO:0005576 GO:0005615 GO:0005623 GO:0006810 GO:0006811 GO:0006826 GO:0006879 GO:0008199 GO:0015091 GO:0015682 GO:0046872 GO:0055072
50.200.6354.000.070.833s9nD GO:0001895 GO:0002576 GO:0005576 GO:0005615 GO:0005769 GO:0005770 GO:0005905 GO:0006810 GO:0006811 GO:0006826 GO:0006879 GO:0008198 GO:0008199 GO:0009925 GO:0009986 GO:0010008 GO:0015091 GO:0016023 GO:0016324 GO:0030139 GO:0031232 GO:0031647 GO:0031982 GO:0033572 GO:0034774 GO:0045178 GO:0046872 GO:0048260 GO:0048471 GO:0055037 GO:0055072 GO:0070062 GO:0071281 GO:0072562 GO:0097460 GO:1990459 GO:1990712
60.200.7533.740.090.961biyA GO:0001503 GO:0001817 GO:0002227 GO:0002376 GO:0004252 GO:0005506 GO:0005576 GO:0005615 GO:0006508 GO:0006810 GO:0006811 GO:0008233 GO:0008236 GO:0016787 GO:0019731 GO:0019732 GO:0031665 GO:0032680 GO:0033690 GO:0042581 GO:0043066 GO:0045669 GO:0046872 GO:0055072 GO:0060349 GO:1900159 GO:1900229 GO:1902732 GO:2000308 GO:2001205
70.190.7324.050.120.962bjjX GO:0001503 GO:0001817 GO:0001895 GO:0002227 GO:0002376 GO:0003677 GO:0004252 GO:0005506 GO:0005576 GO:0005615 GO:0005634 GO:0005737 GO:0006351 GO:0006355 GO:0006508 GO:0006810 GO:0006811 GO:0006959 GO:0008201 GO:0008233 GO:0008236 GO:0009986 GO:0016787 GO:0019731 GO:0019732 GO:0030141 GO:0031665 GO:0032680 GO:0032780 GO:0033214 GO:0033690 GO:0034145 GO:0042581 GO:0042742 GO:0043066 GO:0043123 GO:0043234 GO:0043539 GO:0044267 GO:0044793 GO:0045071 GO:0045454 GO:0045669 GO:0046872 GO:0048525 GO:0051092 GO:0055072 GO:0060349 GO:0070062 GO:0071902 GO:0097013 GO:1900159 GO:1900229 GO:1902732 GO:2000308 GO:2001205
80.130.7403.960.090.963s9mC GO:0001895 GO:0002576 GO:0005576 GO:0005615 GO:0005769 GO:0005770 GO:0005905 GO:0006810 GO:0006811 GO:0006826 GO:0006879 GO:0008198 GO:0008199 GO:0009925 GO:0009986 GO:0010008 GO:0015091 GO:0016023 GO:0016324 GO:0030139 GO:0031232 GO:0031647 GO:0031982 GO:0033572 GO:0034774 GO:0045178 GO:0046872 GO:0048260 GO:0048471 GO:0055037 GO:0055072 GO:0070062 GO:0071281 GO:0072562 GO:0097460 GO:1990459 GO:1990712
90.130.7413.670.100.953mc2A GO:0004857 GO:0005506 GO:0005576 GO:0005615 GO:0043086
100.130.6833.710.100.883s9mD GO:0001895 GO:0002576 GO:0005576 GO:0005615 GO:0005769 GO:0005770 GO:0005905 GO:0006810 GO:0006811 GO:0006826 GO:0006879 GO:0008198 GO:0008199 GO:0009925 GO:0009986 GO:0010008 GO:0015091 GO:0016023 GO:0016324 GO:0030139 GO:0031232 GO:0031647 GO:0031982 GO:0033572 GO:0034774 GO:0045178 GO:0046872 GO:0048260 GO:0048471 GO:0055037 GO:0055072 GO:0070062 GO:0071281 GO:0072562 GO:0097460 GO:1990459 GO:1990712
110.090.6864.020.150.903e4rA GO:0006790 GO:0006810 GO:0016020
120.090.6413.290.110.791xt8B
130.080.6783.930.130.882x26A GO:0006790 GO:0006810 GO:0016020 GO:0042597 GO:0055052
140.070.6323.010.100.764ymxA GO:0004970 GO:0005215 GO:0006810 GO:0016020 GO:0035235
150.070.5575.210.080.841aovA GO:0005576 GO:0005615 GO:0006810 GO:0006811 GO:0046872 GO:0055072
160.070.7293.940.090.944h0wA GO:0001895 GO:0002576 GO:0005576 GO:0005615 GO:0005769 GO:0005770 GO:0005905 GO:0006810 GO:0006811 GO:0006826 GO:0006879 GO:0008198 GO:0008199 GO:0009925 GO:0009986 GO:0010008 GO:0015091 GO:0016023 GO:0016324 GO:0030139 GO:0031232 GO:0031647 GO:0031982 GO:0033572 GO:0034774 GO:0045178 GO:0046872 GO:0048260 GO:0048471 GO:0055037 GO:0055072 GO:0070062 GO:0071281 GO:0072562 GO:0097460 GO:1990459 GO:1990712
170.070.5555.310.110.861aivA GO:0005576 GO:0005615 GO:0006810 GO:0006811 GO:0006953 GO:0031012 GO:0032496 GO:0046872 GO:0055072
180.070.5525.030.080.811dtzA GO:0001503 GO:0001817 GO:0002227 GO:0002376 GO:0004252 GO:0005506 GO:0005576 GO:0005615 GO:0006508 GO:0006810 GO:0006811 GO:0008233 GO:0008236 GO:0016787 GO:0019731 GO:0019732 GO:0031665 GO:0032680 GO:0033690 GO:0042581 GO:0043066 GO:0045669 GO:0046872 GO:0055072 GO:0060349 GO:1900159 GO:1900229 GO:1902732 GO:2000308 GO:2001205
190.070.6944.030.090.924x1bA GO:0001895 GO:0002576 GO:0005576 GO:0005615 GO:0005769 GO:0005770 GO:0005905 GO:0006810 GO:0006811 GO:0006826 GO:0006879 GO:0008198 GO:0008199 GO:0009925 GO:0009986 GO:0010008 GO:0015091 GO:0016023 GO:0016324 GO:0030139 GO:0031232 GO:0031647 GO:0031982 GO:0033572 GO:0034774 GO:0045178 GO:0046872 GO:0048260 GO:0048471 GO:0055037 GO:0055072 GO:0070062 GO:0071281 GO:0072562 GO:0097460 GO:1990459 GO:1990712
200.060.3216.220.040.531lluA GO:0000166 GO:0008270 GO:0016491 GO:0046872 GO:0055114
210.060.3576.090.040.603hemA GO:0001666 GO:0005737 GO:0005829 GO:0005886 GO:0006629 GO:0008168 GO:0008610 GO:0008825 GO:0016740 GO:0032259 GO:0046500 GO:0052167 GO:0071766 GO:0071768 GO:0071769


Consensus prediction of GO terms
 
Molecular Function GO:0070011 GO:0017171 GO:0015091 GO:0008199 GO:0042917
GO-Score 0.46 0.46 0.39 0.39 0.36
Biological Processes GO:0055085 GO:0043069 GO:0045087 GO:0050832 GO:0031664 GO:1900157 GO:0019538 GO:0002385 GO:1903011 GO:1903556 GO:0010721 GO:1900191 GO:1900228 GO:2000307 GO:0033688 GO:0032102 GO:0045597 GO:0032640 GO:0019730 GO:0009968 GO:0035988 GO:0002832 GO:0030501 GO:2001204 GO:0048705 GO:0045667 GO:0045671 GO:0042742 GO:0042981 GO:1903012 GO:0008284 GO:0006879 GO:0015682 GO:0042916
GO-Score 0.58 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.46 0.39 0.39 0.36
Cellular Component GO:0043190 GO:0005615 GO:0030141
GO-Score 0.58 0.53 0.46

(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.