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I-TASSER results for job id Rv0412c

[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
10.04 2 3pyoH MG Rep, Mult 437,438
20.04 2 5ezmA MPG Rep, Mult 282,285
30.04 2 3hd7A GGG Rep, Mult 433,434
40.04 2 3wmn2 BCL Rep, Mult 427,431
50.02 1 2gdcA III Rep, Mult 338,341,342,345,346,349,352,369,404,411,415,418,419,422
60.02 1 3k7tA GP7 Rep, Mult 33,34
70.02 1 5l89U CA Rep, Mult 305,360
80.02 1 4h13A 8K6 Rep, Mult 323,412
90.02 1 2ppbC STD Rep, Mult 155,167,170
100.02 1 3gi7A UNL Rep, Mult 107,110
110.02 1 1gkiA ADP Rep, Mult 159,439
120.02 1 1zyrM STD Rep, Mult 92,93,114,115,118
130.02 1 1ibvA UUU Rep, Mult 172,173
140.02 1 2yu91 III Rep, Mult 102,108,109,112,113,116,117,118
150.02 1 4wxlA BB2 Rep, Mult 61,247
160.02 1 1hnz2 III Rep, Mult 338,339,343,382,383,387
170.02 1 4ecgA CA Rep, Mult 196,198
180.02 1 1m18G UUU Rep, Mult 231,232
190.02 1 2gwwA III Rep, Mult 337,338,341,344,345,348,352,405,408,416,419
200.02 1 3u3cA III Rep, Mult 313,316,317,320,419

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
10.0603b8eC0.3506.510.0450.5383.6.3.9NA
20.0603b8cA0.3266.930.0460.5103.6.3.6NA
30.0603g61A0.3157.220.0460.5193.6.3.44109
40.0601rqgA0.3336.100.0440.4766.1.1.10NA
50.0603gtgB0.3737.290.0430.6172.7.7.6NA
60.0602vz9B0.3426.940.0530.5562.3.1.85NA
70.0601qxpB0.3137.140.0590.5123.4.22.53,3.4.22.52NA
80.0602vz8A0.3566.740.0640.5602.3.1.85NA
90.0601mhsA0.3407.240.0450.5633.6.3.6NA
100.0603ixzA0.3486.640.0470.5403.6.3.10NA
110.0601mo7A0.1365.760.0700.1943.6.3.9117
120.0601fohC0.3317.070.0380.5311.14.13.7NA
130.0601pn0C0.3277.180.0410.5331.14.13.7NA
140.0603dy5A0.3377.680.0410.6011.13.11.40,4.2.1.92353
150.0601gaxA0.3186.380.0390.4656.1.1.9NA
160.0601wz2A0.3307.130.0390.5496.1.1.4NA
170.0601k1xA0.3226.430.0500.4832.4.1.25169
180.0601pj6A0.3147.230.0510.5331.5.3.10NA
190.0602jfdA0.2216.020.0500.3192.3.1.85NA

(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
00.310.9121.630.100.955ic0A GO:0001726 GO:0003779 GO:0005178 GO:0005200 GO:0005737 GO:0005815 GO:0005856 GO:0005886 GO:0005925 GO:0007016 GO:0007044 GO:0007155 GO:0009986 GO:0016020 GO:0017166 GO:0030054 GO:0030274 GO:0030866 GO:0032403 GO:0032587 GO:0042995 GO:0051015 GO:0070062 GO:0070527
10.060.4043.500.050.483dyjA GO:0001726 GO:0003779 GO:0005178 GO:0005200 GO:0005737 GO:0005815 GO:0005856 GO:0005886 GO:0005925 GO:0007016 GO:0007044 GO:0007155 GO:0009986 GO:0016020 GO:0017166 GO:0030054 GO:0030274 GO:0030866 GO:0032403 GO:0032587 GO:0042995 GO:0051015 GO:0070062 GO:0070527
20.060.3532.060.120.382l7nA GO:0001726 GO:0003779 GO:0005178 GO:0005200 GO:0005737 GO:0005815 GO:0005856 GO:0005886 GO:0005925 GO:0007016 GO:0007044 GO:0007155 GO:0009986 GO:0016020 GO:0017166 GO:0030054 GO:0030274 GO:0030866 GO:0032403 GO:0032587 GO:0042995 GO:0051015 GO:0070062 GO:0070527
30.060.3472.010.100.373fyqA GO:0001726 GO:0003779 GO:0005158 GO:0005178 GO:0005200 GO:0005856 GO:0005925 GO:0006909 GO:0007016 GO:0007155 GO:0007298 GO:0007390 GO:0007430 GO:0007475 GO:0007526 GO:0008360 GO:0016203 GO:0033627 GO:0035160 GO:0045214 GO:0045892 GO:0051015 GO:0060439 GO:0086042
40.060.3312.640.070.362kvpA GO:0001726 GO:0003779 GO:0005178 GO:0005200 GO:0005737 GO:0005815 GO:0005856 GO:0005886 GO:0005925 GO:0007016 GO:0007044 GO:0007155 GO:0009986 GO:0016020 GO:0017166 GO:0030054 GO:0030274 GO:0030866 GO:0032403 GO:0032587 GO:0042995 GO:0051015 GO:0070062 GO:0070527
50.060.3857.380.050.655anbK GO:0000166 GO:0003924 GO:0005525 GO:0005622 GO:0006412 GO:0042254 GO:0042256 GO:0043022
60.060.2897.530.040.514v6wAz GO:0000022 GO:0000166 GO:0003746 GO:0003924 GO:0005525 GO:0005737 GO:0005811 GO:0005829 GO:0005875 GO:0006412 GO:0006414 GO:0007052
70.060.3046.540.030.463izyP GO:0000166 GO:0003743 GO:0003924 GO:0005525 GO:0005622 GO:0005654 GO:0005739 GO:0005759 GO:0006412 GO:0006413 GO:0008135 GO:0032790 GO:0043024 GO:0044822 GO:0070124
80.060.2867.440.040.493wbkA GO:0000166 GO:0000462 GO:0001732 GO:0003743 GO:0003924 GO:0005525 GO:0005737 GO:0006412 GO:0006413 GO:0006446 GO:0016787 GO:0022627 GO:0031369 GO:0033290 GO:0042255 GO:0043022 GO:0046872
90.060.2687.750.060.482dy1A GO:0000166 GO:0003746 GO:0003924 GO:0005525 GO:0006414
100.060.2907.940.030.523jb9B GO:0000166 GO:0000244 GO:0000974 GO:0003924 GO:0005525 GO:0005634 GO:0005681 GO:0005682 GO:0005737 GO:0005829 GO:0006397 GO:0006412 GO:0008380 GO:0045292 GO:0046540 GO:1902802
110.060.2657.940.060.494v9hAY GO:0000166 GO:0003746 GO:0003924 GO:0005525 GO:0005622 GO:0005737 GO:0006412 GO:0006414
120.060.2827.260.050.482xexB GO:0000166 GO:0003746 GO:0003924 GO:0005525 GO:0005622 GO:0005737 GO:0006412 GO:0006414
130.060.2866.990.050.461g7sA GO:0000166 GO:0003743 GO:0003924 GO:0005525 GO:0005622 GO:0006412 GO:0006413
140.060.2937.360.040.495gamC GO:0000166 GO:0000244 GO:0000349 GO:0000388 GO:0000398 GO:0003924 GO:0005525 GO:0005634 GO:0005682 GO:0006397 GO:0006412 GO:0008380 GO:0030623 GO:0042256 GO:0046540
150.060.2716.900.030.434v8zCV GO:0000166 GO:0000462 GO:0001732 GO:0003743 GO:0003924 GO:0005525 GO:0005622 GO:0005737 GO:0006412 GO:0006413 GO:0006446 GO:0016787 GO:0022627 GO:0031369 GO:0033290 GO:0042255 GO:0043022 GO:0046872
160.060.2667.260.060.444ujcAB GO:0000166 GO:0003924 GO:0005525
170.060.2727.480.030.474v6vA1 GO:0000166 GO:0003924 GO:0005525 GO:0006412 GO:0046677
180.060.2667.090.030.444n3nA GO:0000166 GO:0003743 GO:0003924 GO:0005525 GO:0005737 GO:0006412 GO:0006413 GO:0016787 GO:0046872


Consensus prediction of GO terms
 
Molecular Function GO:0005178 GO:0005200 GO:0051015 GO:0017166 GO:0030274
GO-Score 0.47 0.47 0.47 0.43 0.43
Biological Processes GO:0007016 GO:0070527 GO:0030866 GO:0007044
GO-Score 0.47 0.43 0.43 0.43
Cellular Component GO:0005925 GO:0070062 GO:0005737 GO:0009986 GO:0032587 GO:0005815
GO-Score 0.47 0.43 0.43 0.43 0.43 0.43

(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.