[Home] [Server] [About] [Statistics] [Annotation]

I-TASSER results for job id Rv2820c

[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 3 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
10.15 8 2w72A XE Rep, Mult 32,33,36,58
20.10 5 3dasA CA Rep, Mult 224,234
30.04 2 4jcbT BCL Rep, Mult 36,40
40.04 2 2ckjB FES Rep, Mult 217,218,219,220,273,290,292
50.02 1 1s5lk CLA Rep, Mult 76,80
60.02 1 3lw51 CLA Rep, Mult 90,93
70.02 1 1fiqA FES Rep, Mult 103,104,107,109,112
80.02 1 1i6qA CO3 Rep, Mult 185,186
90.02 1 1bcpL ATP Rep, Mult 241,245
100.02 1 1gzmA C8E Rep, Mult 38,41
110.02 1 3eubS FES Rep, Mult 235,236,261,262,263,264,266
120.02 1 2x8oA OIN Rep, Mult 140,144,165
130.02 1 3qjlA NUC Rep, Mult 1,64,65,129,160,200,201,213,215,232,234,265,295,297,298

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
10.0601jrpB0.3436.880.0670.6361.17.1.4NA
20.0601qo8D0.3546.760.0300.6321.3.99.1NA
30.0602ckjA0.3066.940.0320.5661.17.1.4,1.17.3.2NA
40.0601ac5A0.3515.590.0250.5433.4.16.6NA
50.0601tt0A0.3616.460.0450.6231.1.3.10NA
60.0601kqfA0.3546.570.0190.5991.2.1.2NA
70.0601ti2A0.3826.940.0430.6991.97.1.2NA
80.0601yrqI0.3486.360.0520.5801.12.2.1214,229
90.0601jroB0.3606.420.0620.6261.1.1.204NA
100.0601fo4A0.3696.770.0400.6591.17.1.4NA
110.0601q16A0.3816.500.0430.6521.7.99.4NA
120.0601dgjA0.3626.770.0340.6521.2.-.-NA
130.0603b9jJ0.2526.510.0510.4371.17.1.4,1.17.3.263
140.0601knpA0.3436.460.0380.5891.4.3.16215
150.0601fdiA0.3516.180.0320.5661.2.1.2NA
160.0601chuA0.3226.920.0510.5831.4.3.16NA
170.0601kdgB0.3766.290.0700.6291.1.99.18,NA
180.0603b9jC0.2786.890.0400.5101.17.3.2,1.17.1.4NA
190.0601e39A0.3606.060.0370.5861.3.99.1NA

(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
00.320.8511.730.210.904qtsA GO:0051607
10.070.6284.730.150.853x1lB GO:0000166 GO:0003723 GO:0005737 GO:0051607
20.070.5884.530.150.793w2vB GO:0000166 GO:0003723 GO:0005737 GO:0051607
30.070.4753.870.080.613ufcX GO:0003723 GO:0016788
40.070.4763.730.080.613qjjA GO:0003723 GO:0016788
50.070.4533.800.060.583pkmX GO:0003723 GO:0004518 GO:0004519 GO:0016787 GO:0016788 GO:0043571 GO:0090305
60.060.4315.110.090.624ilmJ GO:0004518 GO:0004519 GO:0016787 GO:0016788 GO:0051607 GO:0090305
70.060.4255.030.060.624mjkA GO:0043571
80.060.4264.460.150.584c9dA GO:0016788
90.060.4064.380.100.554c8yA GO:0016788
100.060.4064.770.070.573zfvD GO:0004518 GO:0004519 GO:0016787 GO:0016788 GO:0051607 GO:0090305
110.060.3884.460.140.534c98A GO:0016788
120.060.3653.430.100.454w8vA GO:0003723 GO:0005737 GO:0051607
130.060.3293.770.070.414qtsC GO:0051607
140.060.3067.110.040.573nc6B GO:0004497 GO:0005506 GO:0005886 GO:0016125 GO:0016491 GO:0016705 GO:0016713 GO:0020037 GO:0046148 GO:0046872 GO:0055114
150.060.3056.610.030.531x0xA GO:0004367 GO:0004368 GO:0005737 GO:0005739 GO:0005829 GO:0005975 GO:0006072 GO:0006094 GO:0006116 GO:0006127 GO:0006654 GO:0006734 GO:0009331 GO:0016491 GO:0016616 GO:0019432 GO:0042803 GO:0045821 GO:0046168 GO:0046486 GO:0051287 GO:0055114 GO:0070062 GO:0071320 GO:0071356
160.060.2846.610.040.472i7vA GO:0000398 GO:0003723 GO:0004518 GO:0004519 GO:0004521 GO:0005634 GO:0005654 GO:0005847 GO:0006369 GO:0006378 GO:0006379 GO:0006397 GO:0006398 GO:0006406 GO:0008409 GO:0016787 GO:0030529 GO:0031124 GO:0046872 GO:0090305 GO:0090502
170.060.2486.550.020.434d2iA GO:0000166 GO:0004386 GO:0005524 GO:0006281 GO:0006974 GO:0016787
180.060.2695.650.050.424kgkD GO:0000166 GO:0000287 GO:0005524 GO:0005525 GO:0006400 GO:0008193 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0003676
GO-Score 0.49
Biological Processes GO:0051607
GO-Score 0.42
Cellular Component GO:0005737
GO-Score 0.14

(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.