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

I-TASSER results for job id Rv1277

[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
10.56 75 3d03E CO Rep, Mult 42,88,120,121,194,231
20.41 52 4hd0B MN Rep, Mult 42,44,88,231,233
30.01 2 3dscA NUC Rep, Mult 46,47,48,49,50,51,52,58,91,348
40.00 1 3dsdA QNA Rep, Mult 94,123,125,166,167,170
50.00 1 2qfpA NA Rep, Mult 120,121,207,231

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
10.1282nxfA0.4563.650.1380.5373.6.1.16,3.6.1.53,3.6.1.13205,231
20.0601a0dA0.4047.000.0510.6645.3.1.5NA
30.0602x58A0.3996.750.0920.6555.3.3.8,4.2.1.17,1.1.1.35NA
40.0601kbpA0.4664.060.0980.5643.1.3.2NA
50.0604kbpA0.4674.150.0970.5683.1.3.2120
60.0601a0eA0.4096.110.0450.6165.3.1.5NA
70.0601yq2A0.4036.730.0580.6433.2.1.23NA
80.0601zcjA0.4006.780.0960.6571.1.1.35NA
90.0601warA0.4763.840.1810.5683.1.3.2121,233
100.0603e0jA0.4094.490.1230.5012.7.7.7123
110.0601jcmP0.3195.060.0660.4344.1.1.48,5.3.1.24NA
120.0602j62A0.4585.850.0630.6673.2.1.52NA
130.0603ilvA0.4216.060.0590.6246.3.5.191
140.0601piiA0.4326.610.0500.6794.1.1.48,5.3.1.24NA
150.0602vvnA0.4625.940.0370.6813.2.1.52290
160.0602epoB0.4606.130.0490.6913.2.1.52NA
170.0601a0dD0.4047.000.0510.6645.3.1.587,253
180.0601djgB0.4196.240.0520.6403.1.4.11NA
190.0601xzwB0.4624.270.0950.5663.1.3.2NA
200.0602j5wA0.4077.300.0650.6981.16.3.1NA

(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
00.410.6941.800.150.723av0A GO:0004518 GO:0004519 GO:0004527 GO:0006281 GO:0006302 GO:0006974 GO:0016787 GO:0030145 GO:0042802 GO:0046872 GO:0090305
10.390.4673.350.170.543d03A GO:0000166 GO:0004115 GO:0016787 GO:0046872
20.250.5963.710.130.713qg5D GO:0003677 GO:0004518 GO:0004519 GO:0004527 GO:0006259 GO:0006260 GO:0006310 GO:0008408 GO:0016787 GO:0046872 GO:0090305
30.200.6243.500.150.734ykeB GO:0004518 GO:0004519 GO:0004527 GO:0005634 GO:0006281 GO:0006302 GO:0006974 GO:0008408 GO:0016787 GO:0030145 GO:0030870 GO:0046872 GO:0051321 GO:0090305
40.190.6152.650.190.683dscA GO:0004518 GO:0004519 GO:0004527 GO:0006281 GO:0006302 GO:0006974 GO:0016787 GO:0030145 GO:0042802 GO:0046872 GO:0090305
50.190.6113.330.140.714fcxB GO:0000014 GO:0000723 GO:0000724 GO:0000729 GO:0000784 GO:0004518 GO:0004519 GO:0004527 GO:0005634 GO:0006281 GO:0006302 GO:0006303 GO:0006974 GO:0007131 GO:0008310 GO:0008311 GO:0008408 GO:0016787 GO:0030145 GO:0030870 GO:0031573 GO:0034613 GO:0035861 GO:0042138 GO:0051321 GO:1990421 GO:1990918
60.180.6083.610.170.724ltyA GO:0004518 GO:0004519 GO:0004527 GO:0006259 GO:0006260 GO:0006310 GO:0008408 GO:0016787 GO:0046872 GO:0090305
70.170.6113.570.130.713t1iD GO:0000014 GO:0000019 GO:0000724 GO:0000729 GO:0000731 GO:0000732 GO:0000781 GO:0000784 GO:0000790 GO:0000794 GO:0003677 GO:0003690 GO:0004003 GO:0004518 GO:0004519 GO:0004520 GO:0004527 GO:0005634 GO:0005654 GO:0005694 GO:0005737 GO:0005829 GO:0005913 GO:0006260 GO:0006281 GO:0006302 GO:0006303 GO:0006310 GO:0006974 GO:0007004 GO:0007062 GO:0007095 GO:0007129 GO:0007131 GO:0007507 GO:0008022 GO:0008283 GO:0008408 GO:0016032 GO:0016605 GO:0016787 GO:0030145 GO:0030870 GO:0031573 GO:0031860 GO:0031954 GO:0032206 GO:0032481 GO:0032508 GO:0032876 GO:0033674 GO:0035861 GO:0043066 GO:0046597 GO:0048471 GO:0051276 GO:0051321 GO:0090305 GO:0098609 GO:0098641 GO:1901796
80.170.6193.460.120.724fbkA GO:0000014 GO:0000723 GO:0000724 GO:0000729 GO:0000784 GO:0004518 GO:0004519 GO:0004527 GO:0005634 GO:0006281 GO:0006302 GO:0006303 GO:0006974 GO:0007131 GO:0008310 GO:0008311 GO:0008408 GO:0016787 GO:0030145 GO:0030870 GO:0031573 GO:0034613 GO:0035861 GO:0042138 GO:0051321 GO:1990421 GO:1990918
90.060.3627.180.050.613u7vA GO:0004553 GO:0004565 GO:0005975 GO:0008152 GO:0009341 GO:0016787 GO:0016798
100.060.3257.510.030.581pguB GO:0003779 GO:0005737 GO:0005856 GO:0005884 GO:0006970 GO:0030042 GO:0030479 GO:0032466 GO:0051016
110.060.3396.000.060.514as2A GO:0046872
120.060.2645.930.040.394x9xA GO:0008289
130.060.2465.720.060.362nyvA GO:0005975 GO:0008152 GO:0008967 GO:0016311 GO:0016787 GO:0046295 GO:0046872
140.060.2306.350.040.354dgqA GO:0004601 GO:0016491 GO:0016691 GO:0055114 GO:0098869
150.060.2176.500.050.341bwzA GO:0005737 GO:0008652 GO:0008837 GO:0009085 GO:0009089 GO:0016853
160.060.2567.290.050.444imhA GO:0006826 GO:0046872
170.060.2175.500.040.301pmtA GO:0004364 GO:0005737 GO:0016740
180.060.2195.120.070.304bziB GO:0000139 GO:0000166 GO:0000266 GO:0003400 GO:0003924 GO:0005525 GO:0005622 GO:0005739 GO:0005783 GO:0005789 GO:0005794 GO:0006810 GO:0006886 GO:0007006 GO:0012507 GO:0015031 GO:0016020 GO:0016050 GO:0016192 GO:0016787 GO:0030127 GO:0031410 GO:0044233 GO:0044802 GO:0070971


Consensus prediction of GO terms
 
Molecular Function GO:0004519 GO:0030145 GO:0042802 GO:0003676 GO:0008408 GO:0004115 GO:0000166
GO-Score 0.71 0.62 0.52 0.51 0.40 0.39 0.39
Biological Processes GO:0090305 GO:0006302 GO:0034645 GO:0044702 GO:0007049
GO-Score 0.71 0.62 0.51 0.40 0.40
Cellular Component GO:0044428 GO:0043234
GO-Score 0.40 0.40

(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.