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I-TASSER results for job id Rv0493c

[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
10.05 4 1kn4L PDE Rep, Mult 123,154,156,168,170,172
20.05 4 3kdjB MN Rep, Mult 41,193,307
30.04 3 1q72H COC Rep, Mult 116,118,159,160,161,165
40.04 3 1yt3A ZN Rep, Mult 52,54,293
50.04 3 1mjjL HAL Rep, Mult 39,50,52,53,68,70
60.03 2 3ck0H III Rep, Mult 220,222,224,232,300
70.03 2 3ig8A MG Rep, Mult 34,177
80.01 1 1c9uB CA Rep, Mult 179
90.01 1 3n12A ZN Rep, Mult 3,34
100.01 1 1indH EOT Rep, Mult 39,50,52
110.01 1 3cfbL SPB Rep, Mult 190,204,218,220
120.01 1 1qygH BCG Rep, Mult 196,198,223,225,226,227
130.01 1 2epfA ZN Rep, Mult 191,248
140.01 1 2x27X C8E Rep, Mult 33,180
150.01 1 3q2vA MN Rep, Mult 286,290
160.01 1 1froA ZN Rep, Mult 248,297
170.01 1 3i8hK MG Rep, Mult 27,36
180.01 1 1iw7E MG Rep, Mult 34,37
190.01 1 2bq8X ZN Rep, Mult 34,42
200.01 1 2o011 CLA Rep, Mult 195,196

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
10.0601bglA0.3626.890.0540.6473.2.1.23201
20.0602dgaA0.3667.010.0610.6603.2.1.2154,55
30.0603beqB0.3686.430.0360.5993.2.1.18NA
40.0602vk6A0.3806.890.0420.6563.2.1.18197,228
50.0602jf6B0.3706.960.0600.6533.2.1.105NA
60.0601simA0.3686.430.0440.6113.2.1.18194
70.0601dgjA0.3806.450.0450.6381.2.-.-119
80.0603eqoA0.3326.620.0590.5563.2.1.58NA
90.0601ncaN0.3656.360.0280.5993.2.1.18NA
100.0602e0wB0.3656.670.0490.6262.3.2.2105
110.0602htrA0.3696.470.0500.6023.2.1.1868,99
120.0601ingA0.3646.390.0570.5933.2.1.18NA
130.0601vcuB0.3746.690.0730.6293.2.1.18201
140.0603fimB0.3686.300.0500.5931.1.3.7NA
150.0602z8kD0.2395.860.0540.3742.3.2.2NA
160.0603gvjA0.3896.180.0560.6203.2.1.129229,232
170.0601sllA0.3896.690.0510.6564.2.2.15NA
180.0601yifA0.3686.270.0550.6023.2.1.37190,198,232,255
190.0601yq2A0.3756.860.0450.6533.2.1.23NA

(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
00.170.7692.980.130.882ichB
10.060.4096.230.040.664oyzA 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
20.060.3856.250.030.632nlzD GO:0003840 GO:0006749
30.060.3836.220.060.622i3oD GO:0003840 GO:0006749 GO:0016740
40.060.3656.670.050.632e0wB GO:0003840 GO:0006508 GO:0006749 GO:0006750 GO:0008233 GO:0016740 GO:0016746 GO:0016787 GO:0036374 GO:0042597
50.060.3156.370.030.533jcmB GO:0000398 GO:0005634 GO:0005681 GO:0006397 GO:0008380 GO:0017070 GO:0030621 GO:0034247 GO:0046540
60.060.2986.980.060.535e7qA GO:0003824 GO:0008152
70.060.4056.190.060.654y23A GO:0003840 GO:0006749
80.060.2766.810.040.493whqA GO:0003840 GO:0005576 GO:0006508 GO:0006749 GO:0006750 GO:0008233 GO:0016740 GO:0016746 GO:0016787 GO:0036374
90.060.2866.590.030.484lv8A GO:0000166 GO:0004672 GO:0005524 GO:0006468
100.060.2736.870.060.472dbuA GO:0003840 GO:0006508 GO:0006749 GO:0006750 GO:0008233 GO:0016740 GO:0016746 GO:0016787 GO:0036374 GO:0042597
110.060.2666.610.020.454z1iB GO:0000166 GO:0005164 GO:0005524 GO:0005654 GO:0005739 GO:0005743 GO:0005758 GO:0005759 GO:0005811 GO:0006457 GO:0006950 GO:0009386 GO:0016020 GO:0019901 GO:0044822 GO:0051082 GO:0061077 GO:0070062 GO:1901856 GO:1902176 GO:1903427 GO:1903751
120.060.2816.190.040.454knsA GO:0005507 GO:0006807 GO:0046872 GO:0050421 GO:0055114
130.060.2436.720.030.414gg2A GO:0002682 GO:0003840 GO:0005615 GO:0005886 GO:0006508 GO:0006520 GO:0006536 GO:0006691 GO:0006749 GO:0006750 GO:0006751 GO:0006805 GO:0007283 GO:0008233 GO:0016020 GO:0016021 GO:0016740 GO:0016746 GO:0016787 GO:0019344 GO:0019370 GO:0031362 GO:0031638 GO:0036374 GO:0050727 GO:0070062
140.060.2557.230.060.473q5zA GO:0000166 GO:0004672 GO:0005524 GO:0006468
150.060.2507.060.050.441qxoA GO:0004107 GO:0008652 GO:0009073 GO:0009423 GO:0010181 GO:0016829
160.060.2486.300.040.412dbuB GO:0003840 GO:0006508 GO:0006749 GO:0006750 GO:0008233 GO:0016740 GO:0016746 GO:0016787 GO:0036374 GO:0042597
170.060.2477.010.020.444yutA GO:0005622 GO:0009190 GO:0009785 GO:0009882 GO:0016849 GO:0035556 GO:0071949
180.060.2446.450.030.425a6cB GO:0000132 GO:0000166 GO:0000922 GO:0001965 GO:0005092 GO:0005654 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005911 GO:0005912 GO:0005913 GO:0005938 GO:0007052 GO:0007155 GO:0007165 GO:0007186 GO:0007267 GO:0008022 GO:0017016 GO:0030054 GO:0030695 GO:0034332 GO:0042802 GO:0043547 GO:0045177 GO:0050790 GO:0051661 GO:0060487 GO:0090557 GO:0097431 GO:0098609 GO:0098641


Consensus prediction of GO terms
 
Molecular Function GO:0016755
GO-Score 0.36
Biological Processes GO:0006790 GO:0006575 GO:0006518
GO-Score 0.36 0.36 0.36
Cellular Component GO:0030426 GO:0030424 GO:0045177 GO:0015630 GO:0045178 GO:0005829 GO:0005886 GO:0048471 GO:0043025 GO:0030425 GO:0005634 GO:0031514 GO:0005739 GO:0042597
GO-Score 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.06

(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.