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I-TASSER results for job id Rv1682

[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 3ojaB MAN Rep, Mult 255,258
20.04 2 3qmkB SO4 Rep, Mult 188,257,261
30.04 2 3ijoE B4D Rep, Mult 99,102,103,249,253,256,257
40.04 2 4ev6E MG Rep, Mult 100,252
50.02 1 3j000 PEV Rep, Mult 159,162,166
60.02 1 3lsfE PZI Rep, Mult 74,75,227,231,232
70.02 1 3umkA CU Rep, Mult 202,243
80.02 1 3j001 PEV Rep, Mult 181,184
90.02 1 2w6dB CPL Rep, Mult 192,193,194,195,196,214,215,217
100.02 1 2w6dA CPL Rep, Mult 193,194,214,215,217,218
110.02 1 1g1iA CA Rep, Mult 290,293
120.02 1 2w6dB CPL Rep, Mult 188,189,191
130.02 1 2d4cA CA Rep, Mult 248,252
140.02 1 2w6dB CPL Rep, Mult 143,144,145,154,155,157
150.02 1 4eotA NUC Rep, Mult 166,167,171,174,175,178
160.02 1 3k2sB POV Rep, Mult 192,198,202
170.02 1 3mq7E CA Rep, Mult 240,243
180.02 1 2w6dA GDP Rep, Mult 135,136,138,139
190.02 1 3hd7A GGG Rep, Mult 265,266
200.02 1 3qmkB SGN Rep, Mult 195,250

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
10.0603btaA0.3696.310.0140.5973.4.24.69NA
20.0603ffzA0.4005.540.0360.6003.4.24.69NA
30.0603b8eC0.3365.870.0390.5383.6.3.9NA
40.0603fg3A0.2846.000.0410.4464.2.1.92,1.13.11.40NA
50.0603dy5A0.3395.570.0260.4881.13.11.40,4.2.1.92NA
60.0603hmjA0.3975.540.0580.5972.3.1.86NA
70.0601eulA0.2855.330.0210.4133.6.3.8NA
80.0602cseW0.3226.590.0690.5613.6.4.13NA
90.0603b8eA0.3385.770.0350.5313.6.3.9NA
100.0603ikmD0.3265.420.0250.4752.7.7.7114
110.0601w27A0.3286.670.0340.5644.3.1.24111
120.0603g61A0.4385.430.0480.6293.6.3.44NA
130.0602vumA0.2646.280.0400.4392.7.7.6NA
140.0601mo7A0.1625.290.0600.2433.6.3.9NA
150.0602fhbA0.3346.710.0410.5973.2.1.41NA
160.0602p0mB0.3485.880.0220.5251.13.11.3394
170.0602np0A0.3885.600.0370.5843.4.24.69NA
180.0602pffD0.3865.490.0450.5772.3.1.86182
190.0602uv8G0.3226.660.0660.5672.3.1.86NA

(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
00.060.3484.850.040.493haiA GO:0005543 GO:0005737 GO:0005768 GO:0005829 GO:0005886 GO:0006897 GO:0007015 GO:0008092 GO:0008289 GO:0016020 GO:0030054 GO:0030100 GO:0030137 GO:0030659 GO:0031410 GO:0032587 GO:0042995 GO:0043005 GO:0043209 GO:0043679 GO:0045202 GO:0045806 GO:0048471 GO:0048488 GO:0048666 GO:0048812 GO:0072657 GO:0090002 GO:0097320 GO:1900006
10.060.3795.250.080.554bneA GO:0005737 GO:0005768 GO:0005769 GO:0005802 GO:0005829 GO:0005856 GO:0005886 GO:0005901 GO:0005925 GO:0006897 GO:0008092 GO:0008289 GO:0016020 GO:0030036 GO:0030054 GO:0030100 GO:0030659 GO:0031410 GO:0032587 GO:0042995 GO:0045806 GO:0055038 GO:0070300 GO:0070836 GO:0097320
20.060.3555.410.060.523q0kD GO:0005215 GO:0005654 GO:0005737 GO:0005768 GO:0005769 GO:0005829 GO:0005856 GO:0005886 GO:0005901 GO:0005911 GO:0005913 GO:0005925 GO:0006897 GO:0008092 GO:0008289 GO:0016020 GO:0019898 GO:0030036 GO:0030100 GO:0030659 GO:0031410 GO:0032587 GO:0036010 GO:0042802 GO:0042995 GO:0043231 GO:0045806 GO:0048858 GO:0055038 GO:0070062 GO:0070300 GO:0070836 GO:0072584 GO:0097320 GO:0098609 GO:0098641
30.060.3805.330.070.573qniA GO:0005543 GO:0005737 GO:0005768 GO:0005829 GO:0005886 GO:0006897 GO:0007015 GO:0008092 GO:0008289 GO:0016020 GO:0030054 GO:0030100 GO:0030137 GO:0030659 GO:0031410 GO:0032587 GO:0042995 GO:0043005 GO:0043209 GO:0043679 GO:0045202 GO:0045806 GO:0048471 GO:0048488 GO:0048666 GO:0048812 GO:0072657 GO:0090002 GO:0097320 GO:1900006
40.060.3224.110.060.422lemA GO:0001523 GO:0001540 GO:0001932 GO:0001935 GO:0002740 GO:0005319 GO:0005543 GO:0005548 GO:0005576 GO:0005615 GO:0005634 GO:0005829 GO:0006629 GO:0006644 GO:0006656 GO:0006695 GO:0006810 GO:0006869 GO:0006898 GO:0007186 GO:0007229 GO:0007584 GO:0008035 GO:0008104 GO:0008202 GO:0008203 GO:0008211 GO:0008289 GO:0009986 GO:0010804 GO:0010873 GO:0010898 GO:0010903 GO:0015485 GO:0015914 GO:0017127 GO:0018158 GO:0018206 GO:0019433 GO:0019899 GO:0019915 GO:0030139 GO:0030300 GO:0030301 GO:0030325 GO:0031100 GO:0031103 GO:0031210 GO:0031410 GO:0032489 GO:0033344 GO:0033700 GO:0034115 GO:0034190 GO:0034191 GO:0034361 GO:0034364 GO:0034365 GO:0034366 GO:0034372 GO:0034375 GO:0034380 GO:0035025 GO:0042157 GO:0042158 GO:0042493 GO:0042627 GO:0042632 GO:0042802 GO:0043534 GO:0043627 GO:0043691 GO:0045499 GO:0045723 GO:0046470 GO:0050713 GO:0050728 GO:0050821 GO:0050919 GO:0051006 GO:0051180 GO:0051345 GO:0051346 GO:0051496 GO:0055091 GO:0055102 GO:0060192 GO:0060228 GO:0060354 GO:0060761 GO:0070062 GO:0070328 GO:0070508 GO:0070653 GO:0071813 GO:0072562 GO:1900026 GO:1903561
50.060.2745.800.030.423cfoA GO:0000166 GO:0003676 GO:0003677 GO:0003887 GO:0004518 GO:0004527 GO:0006260 GO:0008408 GO:0016740 GO:0016779 GO:0016787 GO:0039693 GO:0071897 GO:0090305
60.060.2336.740.030.402y51A GO:0000166 GO:0008152 GO:0016491 GO:0016620 GO:0055114
70.060.2356.600.030.415d0uA GO:0000166 GO:0003676 GO:0004386 GO:0005524 GO:0008026 GO:0016787
80.060.2035.690.030.313vz2B GO:0000166 GO:0008152 GO:0016491 GO:0016620 GO:0055114
90.060.2325.670.040.371m1cA GO:0019012 GO:0019028
100.060.2216.110.030.363wsyA GO:0000042 GO:0001540 GO:0004888 GO:0005576 GO:0005615 GO:0005641 GO:0005768 GO:0005769 GO:0005783 GO:0005794 GO:0005802 GO:0005887 GO:0006605 GO:0006622 GO:0006629 GO:0006810 GO:0006869 GO:0006892 GO:0006897 GO:0006898 GO:0007165 GO:0008202 GO:0008203 GO:0014910 GO:0016020 GO:0016021 GO:0030169 GO:0030306 GO:0031985 GO:0032091 GO:0032460 GO:0034362 GO:0043407 GO:0045053 GO:0045732 GO:0050768 GO:0051604 GO:0055037 GO:0070062 GO:0070863 GO:1901215 GO:1902430 GO:1902771 GO:1902948 GO:1902953 GO:1902955 GO:1902960 GO:1902963 GO:1902966 GO:1902997 GO:2001137
110.060.1706.560.030.292qv7A GO:0000166 GO:0003951 GO:0004143 GO:0005524 GO:0006629 GO:0008152 GO:0008654 GO:0016301 GO:0016310 GO:0016740 GO:0046872
120.060.2555.830.050.404ojjC GO:0000290 GO:0000776 GO:0000932 GO:0001731 GO:0003682 GO:0003723 GO:0003729 GO:0005634 GO:0005737 GO:0006397 GO:0006417 GO:0006446 GO:0007049 GO:0007059 GO:0010494 GO:0022627 GO:0033962 GO:0045947 GO:0051301 GO:0061641 GO:1990726
130.060.1836.170.010.311igiH
140.060.1835.360.040.284f8xA GO:0000272 GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0031176 GO:0045493
150.060.1704.100.030.214g59B GO:0001913 GO:0003823 GO:0005886 GO:0006955 GO:0009897 GO:0016020 GO:0019882 GO:0031225 GO:0042267 GO:0042742 GO:0046658 GO:0046703 GO:0071222 GO:0071360
160.060.1685.760.040.263nr8B GO:0001958 GO:0002376 GO:0003779 GO:0005737 GO:0005794 GO:0005829 GO:0005856 GO:0005886 GO:0006006 GO:0006661 GO:0006897 GO:0007015 GO:0007155 GO:0008285 GO:0009791 GO:0010629 GO:0016020 GO:0016787 GO:0017124 GO:0030027 GO:0030175 GO:0032868 GO:0034485 GO:0042169 GO:0042995 GO:0043647 GO:0044255 GO:0046856 GO:0052659 GO:0097178
170.060.2133.670.000.263kwoA GO:0005737 GO:0006879 GO:0006950 GO:0008199 GO:0016491 GO:0042262 GO:0046872 GO:0055114
180.060.1766.360.070.293lm8A GO:0000166 GO:0004788 GO:0005524 GO:0006772 GO:0009229 GO:0016301 GO:0016310 GO:0016740 GO:0030975


Consensus prediction of GO terms
 
Molecular Function GO:0005515
GO-Score 0.47
Biological Processes GO:0051129 GO:0007009 GO:0051051 GO:0030100
GO-Score 0.47 0.47 0.47 0.47
Cellular Component GO:0031256 GO:0001726 GO:0012506 GO:0012505 GO:0044433 GO:0031253 GO:0016023 GO:0005773
GO-Score 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47

(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.