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I-TASSER results for job id Rv0837c

[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
10.10 5 5d56D 78M Rep, Mult 324,325,328
20.08 4 4n6sA CYC Rep, Mult 312,316
30.08 4 4u9dA ZN Rep, Mult 327,330
40.04 2 3ijoH B4D Rep, Mult 177,180,181,183,184,187
50.04 2 3jcuD CLA Rep, Mult 151,154
60.02 1 4dqdA 3PY Rep, Mult 8,9,322,325,326,329
70.02 1 3m9gA ZN Rep, Mult 99,118
80.02 1 2wtfB CA Rep, Mult 26,322
90.02 1 1wuuB MG Rep, Mult 175,239
100.02 1 3pmvA 557 Rep, Mult 84,87,88,89
110.02 1 3ihiB SO4 Rep, Mult 307,324
120.02 1 3lsfE PZI Rep, Mult 170,175,179,180,183
130.02 1 4asoB NUC Rep, Mult 175,199

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
10.0601b26A0.4295.630.0720.6401.4.1.3336
20.0601fw8A0.4176.120.0850.6702.7.2.3308,310,317
30.0601jqnA0.4215.480.0430.6204.1.1.31NA
40.0603c3kB0.4734.510.0680.6325.1.1.1NA
50.0603bblA0.4824.570.0820.6495.1.1.1155,168,266
60.0601aupA0.4105.630.0700.6171.4.1.2231
70.0601hwxA0.4225.690.0390.6321.4.1.3NA
80.0601bvuC0.4325.800.0780.6641.4.1.3107
90.0602axqA0.4205.770.0840.6401.5.1.10NA
100.0601gph10.4476.520.0590.7402.4.2.14190
110.0601gq2A0.4546.070.0620.7141.1.1.40NA
120.0602ebsB0.4236.190.0600.6783.2.1.150NA
130.0601mioA0.4195.810.0770.6371.18.6.1NA
140.0601m34A0.3865.780.0730.5881.18.6.1NA
150.0601l5hA0.2886.190.0510.4591.18.6.1NA
160.0601qh8A0.4175.930.0550.6461.18.6.1196,203
170.0601kyzE0.4275.290.0500.6052.1.1.68NA
180.0601b3bE0.4315.670.0720.6491.4.1.350
190.0601bvuA0.4315.720.0730.6551.4.1.3336

(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
00.070.6144.500.080.792e4zA GO:0001640 GO:0001642 GO:0004871 GO:0004930 GO:0005246 GO:0005516 GO:0005791 GO:0005794 GO:0005886 GO:0005887 GO:0007165 GO:0007186 GO:0007196 GO:0007608 GO:0007611 GO:0009986 GO:0014050 GO:0016020 GO:0016021 GO:0016595 GO:0030165 GO:0030424 GO:0030425 GO:0032279 GO:0042734 GO:0042803 GO:0043025 GO:0043195 GO:0043198 GO:0043234 GO:0043679 GO:0045202 GO:0045211 GO:0048306 GO:0048786 GO:0050896 GO:0051966
10.070.6084.330.080.783olzA GO:0004872 GO:0004970 GO:0005216 GO:0005234 GO:0005886 GO:0006810 GO:0006811 GO:0007165 GO:0007268 GO:0008066 GO:0016020 GO:0016021 GO:0030054 GO:0030424 GO:0030425 GO:0032839 GO:0034220 GO:0035235 GO:0042391 GO:0043195 GO:0043204 GO:0045202 GO:0045211 GO:0051967
20.070.6094.930.070.821ewtA GO:0001639 GO:0004871 GO:0004930 GO:0005886 GO:0005887 GO:0007165 GO:0007186 GO:0007205 GO:0007206 GO:0007216 GO:0007268 GO:0008066 GO:0014048 GO:0014069 GO:0016020 GO:0016021 GO:0019233 GO:0019722 GO:0030331 GO:0030424 GO:0038042 GO:0042734 GO:0042802 GO:0043197 GO:0051482 GO:0051899 GO:0051932 GO:0051966
30.070.5834.910.080.805cnjA GO:0001641 GO:0004871 GO:0004930 GO:0005246 GO:0005622 GO:0005886 GO:0005887 GO:0007165 GO:0007186 GO:0007194 GO:0007196 GO:0007268 GO:0008066 GO:0014047 GO:0016020 GO:0016021 GO:0030054 GO:0030424 GO:0030425 GO:0042734 GO:0042995 GO:0043005 GO:0045202 GO:0051966
40.070.6074.520.060.804uqqA GO:0001662 GO:0004872 GO:0004970 GO:0005216 GO:0005234 GO:0005886 GO:0005887 GO:0006810 GO:0006811 GO:0006874 GO:0006886 GO:0007268 GO:0008066 GO:0008328 GO:0014069 GO:0015277 GO:0016020 GO:0016021 GO:0019228 GO:0030054 GO:0030165 GO:0030424 GO:0030425 GO:0031624 GO:0031625 GO:0032839 GO:0032983 GO:0034220 GO:0035235 GO:0035249 GO:0042391 GO:0042734 GO:0042802 GO:0042803 GO:0043025 GO:0043113 GO:0043195 GO:0043204 GO:0043524 GO:0043525 GO:0045202 GO:0045211 GO:0046328 GO:0048169 GO:0048172 GO:0050804 GO:0050806 GO:0051402 GO:0051967 GO:0060079 GO:0060080
50.070.5934.920.070.814mqeA GO:0001649 GO:0004871 GO:0004930 GO:0004965 GO:0005576 GO:0005615 GO:0005737 GO:0005789 GO:0005886 GO:0005887 GO:0007165 GO:0007186 GO:0007193 GO:0007194 GO:0007214 GO:0008021 GO:0008134 GO:0008285 GO:0014048 GO:0014049 GO:0014053 GO:0016020 GO:0016021 GO:0030054 GO:0030425 GO:0030673 GO:0030817 GO:0031966 GO:0032811 GO:0033602 GO:0035094 GO:0038037 GO:0038039 GO:0042734 GO:0042995 GO:0043005 GO:0043025 GO:0043197 GO:0043198 GO:0043231 GO:0045121 GO:0045202 GO:0045211 GO:0045471 GO:0050805 GO:0060124
60.070.5884.750.080.801jdnA GO:0001501 GO:0002158 GO:0004016 GO:0005622 GO:0005886 GO:0005887 GO:0006171 GO:0007189 GO:0007193 GO:0007200 GO:0008217 GO:0008528 GO:0009190 GO:0016020 GO:0016021 GO:0016941 GO:0017046 GO:0019933 GO:0030157 GO:0033688 GO:0035810 GO:0042562 GO:0042803 GO:0048015 GO:0048662 GO:0051000 GO:0070062
70.070.5755.280.080.814f11A GO:0004871 GO:0004930 GO:0004965 GO:0005737 GO:0005886 GO:0005887 GO:0007165 GO:0007186 GO:0007194 GO:0007214 GO:0007268 GO:0016020 GO:0016021 GO:0030054 GO:0038039 GO:0043005 GO:0045202 GO:0045211
80.070.5545.070.080.773ip5A GO:0006865 GO:0046872
90.070.5615.010.060.792lbpA GO:0006810 GO:0006865 GO:0015190 GO:0015807 GO:0015820 GO:0030288 GO:0042597 GO:0098655 GO:1902475
100.070.5714.790.070.783hutA GO:0006865
110.070.5734.870.060.793lmkB GO:0004871 GO:0004930 GO:0005737 GO:0005886 GO:0005887 GO:0007165 GO:0007186 GO:0007205 GO:0007206 GO:0007216 GO:0007268 GO:0007612 GO:0007626 GO:0008066 GO:0014069 GO:0016020 GO:0016021 GO:0043005 GO:0048169 GO:0050890 GO:0051966 GO:0070062
120.070.5734.490.100.754mlcA GO:0006865
130.070.5474.930.070.764n0qB GO:0006810 GO:0006865
140.070.5655.170.060.795fbkA GO:0001503 GO:0004435 GO:0004871 GO:0004930 GO:0005513 GO:0005886 GO:0005887 GO:0006874 GO:0007165 GO:0007186 GO:0007635 GO:0009653 GO:0016020 GO:0016021 GO:0070509
150.070.5455.210.070.782livA GO:0006810 GO:0006865 GO:0015658 GO:0015803 GO:0030288 GO:0042597
160.070.5654.770.060.772e4vB GO:0001641 GO:0004871 GO:0004930 GO:0005886 GO:0005887 GO:0007165 GO:0007186 GO:0007196 GO:0016020 GO:0016021 GO:0019233 GO:0042734 GO:0050804 GO:0051966 GO:0097449
170.070.5395.140.120.763td9A GO:0006865
180.070.5354.610.070.703mq4A GO:0001642 GO:0001661 GO:0001662 GO:0004871 GO:0004930 GO:0005245 GO:0005246 GO:0005509 GO:0005886 GO:0005887 GO:0005938 GO:0007165 GO:0007186 GO:0007194 GO:0007196 GO:0007268 GO:0007605 GO:0007608 GO:0007613 GO:0007614 GO:0008066 GO:0008306 GO:0010855 GO:0014050 GO:0016020 GO:0016021 GO:0016595 GO:0019226 GO:0030165 GO:0030424 GO:0030425 GO:0030534 GO:0030818 GO:0031279 GO:0032279 GO:0033555 GO:0042734 GO:0043198 GO:0043235 GO:0045211 GO:0048786 GO:0050877 GO:0050896 GO:0051966 GO:0070588 GO:0070905
190.070.5105.440.090.755ipqA GO:0004872 GO:0004970 GO:0005216 GO:0005234 GO:0005886 GO:0006810 GO:0006811 GO:0016020 GO:0016021 GO:0030054 GO:0034220 GO:0035235 GO:0045202 GO:0045211
200.070.5125.460.090.754tllA GO:0004872 GO:0004970 GO:0005216 GO:0005234 GO:0005886 GO:0006810 GO:0006811 GO:0016020 GO:0016021 GO:0030054 GO:0034220 GO:0035235 GO:0045202 GO:0045211


Consensus prediction of GO terms
 
Molecular Function GO:0004888
GO-Score 0.48
Biological Processes GO:0051716 GO:0035249 GO:0050804
GO-Score 0.49 0.38 0.38
Cellular Component GO:0036477 GO:0031226 GO:0097060 GO:0098793 GO:0043679 GO:0098794
GO-Score 0.49 0.49 0.49 0.49 0.38 0.38

(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.