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I-TASSER results for job id Rv1085c

[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
10.08 9 1cwqB TRD Rep, Mult 46,49,53,72,75,76,79,82
20.04 6 1p8uA LI1 Rep, Mult 218,223,224,227
30.04 5 1o0aA LI1 Rep, Mult 45,46,49,76,79,80,86
40.04 5 3a7kD 22B Rep, Mult 192,196,224,228,232,236
50.04 5 1o0aA LI1 Rep, Mult 175,187,191,194,195,198,202
60.03 4 1brrB ARC Rep, Mult 83,84,112,116
70.03 3 3qbiB 22B Rep, Mult 108,112,115,139,140,143
80.03 4 2i21A LI1 Rep, Mult 221,224,227,228,231
90.02 3 2i1xA LI1 Rep, Mult 226,230,231,233,234
100.02 3 1brrA ARC Rep, Mult 194,195,198,199,202,206
110.02 2 3wxwA ZN Rep, Mult 89,219,223
120.02 3 3mbvA BXC Rep, Mult 53,56,68,71,72,75,82
130.01 1 3h90A ZN Rep, Mult 210,219,223
140.01 1 1m0kA SQU Rep, Mult 47,231,232,234,235,238
150.01 1 3qbiD 22B Rep, Mult 73,115,119,122,127
160.01 1 1c8sA LI1 Rep, Mult 165,169,172,173,191,195
170.01 1 2h8pC GOA Rep, Mult 200,204
180.01 1 1jv6A LI1 Rep, Mult 114,117,118,133,134,137,141
190.01 1 2oi2A MG Rep, Mult 44,106
200.01 1 3vh7E MG Rep, Mult 86,89

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
10.0601jtnA0.2965.390.0550.4793.2.1.17NA
20.0601qleA0.5414.810.0440.7811.9.3.1NA
30.0601k7wD0.4704.810.0590.6984.3.2.1205
40.0601k62B0.4594.480.0650.6534.3.2.1NA
50.0603e04D0.4775.200.0430.7314.2.1.2NA
60.0602ohyB0.4545.360.0460.7235.4.3.6NA
70.0601dcnB0.4644.400.0690.6744.3.2.1NA
80.0602pfmA0.4744.630.0250.6654.3.2.2NA
90.0601yisA0.4645.040.0430.7194.3.2.2NA
100.0601b8fA0.4555.130.0520.7194.3.1.3NA
110.0603b8cB0.4525.080.0440.6823.6.3.6120,123
120.0601fftA0.4755.300.0580.7271.10.3.-107
130.0601w27A0.4895.340.0610.7854.3.1.24NA
140.0601tj7A0.4724.990.0190.7194.3.2.1NA
150.0601f1oA0.4874.350.0550.6694.3.2.2NA
160.0603d4sA0.5934.150.0800.8313.2.1.17112,119
170.0601c3cA0.4694.470.0700.6614.3.2.2NA
180.0603no9A0.4704.620.0590.6744.2.1.2168,227
190.0601jswB0.5204.530.0590.7564.3.1.1NA

(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
00.450.9441.510.191.003wxvA GO:0004872 GO:0005886 GO:0006629 GO:0006631 GO:0007186 GO:0009755 GO:0010633 GO:0010719 GO:0010906 GO:0016020 GO:0016021 GO:0019216 GO:0019395 GO:0019901 GO:0030308 GO:0031226 GO:0033210 GO:0033211 GO:0042593 GO:0042802 GO:0046426 GO:0046427 GO:0046628 GO:0046872 GO:0046982 GO:0055100 GO:0097003 GO:1901223
10.450.9461.470.191.003wxwA GO:0004872 GO:0005886 GO:0006629 GO:0006631 GO:0007186 GO:0007507 GO:0007565 GO:0007584 GO:0009755 GO:0016020 GO:0016021 GO:0019395 GO:0030308 GO:0031226 GO:0033211 GO:0042593 GO:0042802 GO:0046326 GO:0046872 GO:0046982 GO:0055100 GO:0061042 GO:0097003
20.360.6823.670.090.883qbgA GO:0005216 GO:0005886 GO:0006810 GO:0006811 GO:0007602 GO:0009881 GO:0016020 GO:0016021 GO:0018298 GO:0034220 GO:0050896
30.330.6643.780.100.851cwqA GO:0005216 GO:0005886 GO:0006810 GO:0006811 GO:0007602 GO:0009881 GO:0015992 GO:0016020 GO:0016021 GO:0018298 GO:0034220 GO:0050896
40.220.6723.900.090.872z55A GO:0005216 GO:0005886 GO:0006810 GO:0006811 GO:0007602 GO:0009881 GO:0015992 GO:0016020 GO:0016021 GO:0018298 GO:0034220 GO:0050896
50.210.6503.750.100.854qi1A GO:0005216 GO:0005886 GO:0006810 GO:0006811 GO:0007602 GO:0009881 GO:0015992 GO:0016020 GO:0016021 GO:0018298 GO:0034220 GO:0050896
60.200.7063.810.060.944xtnA GO:0005216 GO:0006811 GO:0016020 GO:0016021 GO:0034220
70.200.6603.810.100.865ahzA GO:0005216 GO:0005886 GO:0006810 GO:0006811 GO:0007602 GO:0009881 GO:0016020 GO:0016021 GO:0018298 GO:0034220 GO:0050896
80.190.6593.760.100.854hyjA GO:0005216 GO:0006811 GO:0007602 GO:0010461 GO:0016020 GO:0016021 GO:0018298 GO:0034220
90.180.6773.700.060.885azdA GO:0005216 GO:0006811 GO:0016020 GO:0016021 GO:0034220
100.170.6673.750.100.854l35A GO:0005216 GO:0005886 GO:0006810 GO:0006811 GO:0007602 GO:0009881 GO:0015992 GO:0016020 GO:0016021 GO:0018298 GO:0034220 GO:0050896
110.160.6643.690.110.854fbzA GO:0005216 GO:0006811 GO:0016020 GO:0016021 GO:0034220
120.150.6054.340.070.862l6xA GO:0005216 GO:0005886 GO:0006810 GO:0006811 GO:0007602 GO:0009881 GO:0010461 GO:0015992 GO:0016020 GO:0016021 GO:0018298 GO:0034220 GO:0050896
130.150.6403.780.100.843am6A GO:0005216 GO:0006811 GO:0016020 GO:0016021 GO:0034220
140.130.6393.960.100.864klyB GO:0005216 GO:0005886 GO:0006810 GO:0006811 GO:0007602 GO:0009881 GO:0010461 GO:0015992 GO:0016020 GO:0016021 GO:0018298 GO:0034220 GO:0050896
150.120.6323.900.100.854knfC GO:0005216 GO:0005886 GO:0006810 GO:0006811 GO:0007602 GO:0009881 GO:0010461 GO:0015992 GO:0016020 GO:0016021 GO:0018298 GO:0034220 GO:0050896
160.100.6353.840.080.832ksyA GO:0005216 GO:0006811 GO:0016020 GO:0016021 GO:0034220
170.100.6783.950.090.881uazA GO:0005216 GO:0005886 GO:0006810 GO:0006811 GO:0007602 GO:0009881 GO:0015992 GO:0016020 GO:0016021 GO:0018298 GO:0034220 GO:0050896
180.090.6853.670.090.883ddlA GO:0005216 GO:0006811 GO:0007602 GO:0010461 GO:0016020 GO:0016021 GO:0018298 GO:0034220


Consensus prediction of GO terms
 
Molecular Function GO:0042802 GO:0046982 GO:0046872 GO:0055100 GO:0097003 GO:0005216 GO:0009881 GO:0019901
GO-Score 0.70 0.70 0.70 0.70 0.70 0.66 0.66 0.45
Biological Processes GO:0030308 GO:0033211 GO:0007186 GO:0019395 GO:0042593 GO:0034220 GO:0018298 GO:0007602 GO:0015992 GO:0046426 GO:0010719 GO:1901223 GO:0010906 GO:0046628 GO:0019216 GO:0033210 GO:0046427 GO:0010633 GO:0007584 GO:0007565 GO:0046326 GO:0007507 GO:0061042
GO-Score 0.70 0.70 0.70 0.70 0.70 0.66 0.66 0.66 0.47 0.45 0.45 0.45 0.45 0.45 0.45 0.45 0.45 0.45 0.45 0.45 0.45 0.45 0.45
Cellular Component GO:0016021 GO:0031226
GO-Score 0.90 0.70

(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.