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I-TASSER results for job id Rv1733c

[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
10.07 4 4xdkC 408 Rep, Mult 54,57,58
20.05 3 3lsfE PZI Rep, Mult 53,54,164,168,169,172
30.04 2 3ijoE B4D Rep, Mult 46,169,172,175,176
40.04 2 3tdvA MG Rep, Mult 127,145
50.04 2 5kc1J III Rep, Mult 43,46,47,50,57,58
60.04 2 2w6dA GDP Rep, Mult 85,86,88,89,125
70.04 2 2w6dB CPL Rep, Mult 90,91,124,125,127
80.04 2 3pmvA 557 Rep, Mult 30,33,34,35,36,39
90.04 2 5absA ZN Rep, Mult 77,80
100.04 2 2iy4N FE Rep, Mult 82,85
110.02 1 3vh7E MG Rep, Mult 74,77
120.02 1 1ik9B III Rep, Mult 86,87,89,90,93,94,97
130.02 1 1j7lA MG Rep, Mult 136,145
140.02 1 8iceA DTP Rep, Mult 136,137,138
150.02 1 3qmkB SGN Rep, Mult 39,179

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
10.0601flcC0.3955.960.0440.7103.1.1.53NA
20.0601y2mB0.3815.160.0410.6194.3.1.24NA
30.0603hz3A0.3726.110.0150.6952.4.1.5NA
40.0603czoB0.3595.090.0180.5484.3.1.3NA
50.0601u7lA0.3764.860.0610.5713.6.3.1441
60.0603b8cB0.4165.060.0300.6193.6.3.687,90,122,126
70.0602vuaA0.1985.580.0070.3333.4.24.6996,125
80.0602ohyB0.3655.300.0470.5815.4.3.6NA
90.0601jrpB0.3614.910.0420.5141.17.1.4NA
100.0602hc8A0.1784.010.0510.2433.6.3.-39
110.0601b0pA0.3595.110.1030.5431.2.7.1NA
120.0603a1cB0.2275.040.0350.3573.6.3.-137
130.0601ynnD0.3636.020.0340.6242.7.7.6137
140.0601zvuA0.4024.990.0200.6295.99.1.-NA
150.0602cseW0.3756.120.0410.6953.6.4.13NA
160.0601ynnJ0.2236.160.0630.4192.7.7.6135
170.0603b8eC0.4784.960.0610.7243.6.3.9NA
180.0601z0hB0.2165.830.0330.3863.4.24.69136
190.0601sesA0.3305.490.0290.5336.1.1.1137

(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
00.110.4212.680.040.502ocyA GO:0005085 GO:0005829 GO:0005934 GO:0005935 GO:0006810 GO:0006887 GO:0006914 GO:0015031 GO:0030133 GO:0031410 GO:0043547 GO:0070273
10.080.5934.190.050.831f5nA GO:0000139 GO:0000166 GO:0002376 GO:0003779 GO:0003924 GO:0005525 GO:0005576 GO:0005737 GO:0005794 GO:0005829 GO:0005886 GO:0016020 GO:0016787 GO:0019899 GO:0019955 GO:0030507 GO:0042802 GO:0050848 GO:0050860 GO:0051607 GO:0051879 GO:0060333 GO:0070373 GO:1900025 GO:1900041 GO:1903076 GO:1903077
20.070.6123.920.060.811dg3A GO:0000139 GO:0000166 GO:0002376 GO:0003779 GO:0003924 GO:0005525 GO:0005576 GO:0005737 GO:0005794 GO:0005829 GO:0005886 GO:0016020 GO:0016787 GO:0019899 GO:0019955 GO:0030507 GO:0042802 GO:0050848 GO:0050860 GO:0051607 GO:0051879 GO:0060333 GO:0070373 GO:1900025 GO:1900041 GO:1903076 GO:1903077
30.070.5924.100.050.834dylA GO:0000166 GO:0001578 GO:0004672 GO:0004713 GO:0004715 GO:0005524 GO:0005737 GO:0005794 GO:0005829 GO:0005856 GO:0005886 GO:0005925 GO:0006468 GO:0006935 GO:0007173 GO:0007275 GO:0008017 GO:0008283 GO:0008289 GO:0008360 GO:0010976 GO:0015630 GO:0016020 GO:0016023 GO:0016301 GO:0016310 GO:0016740 GO:0018108 GO:0030054 GO:0030155 GO:0031116 GO:0031234 GO:0031410 GO:0034987 GO:0035091 GO:0038083 GO:0042127 GO:0043304 GO:0045087 GO:0045595 GO:0045639 GO:0046777 GO:0051297 GO:0060627 GO:2000145 GO:2000251
40.070.5773.750.040.764aurA GO:0005525
50.070.5004.790.050.764bneA 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
60.070.4904.670.060.733q0kD 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
70.070.4404.570.070.632j68A GO:0000166 GO:0003924 GO:0005525 GO:0005886 GO:0008289 GO:0016020 GO:0016021 GO:0016787
80.070.4715.050.040.733qniA 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
90.060.4744.940.040.743haiA 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
100.060.3984.630.050.603l4qC GO:0001678 GO:0005634 GO:0005925 GO:0005942 GO:0006810 GO:0007165 GO:0008134 GO:0008286 GO:0010506 GO:0014065 GO:0015031 GO:0016303 GO:0030833 GO:0032869 GO:0034976 GO:0035014 GO:0036092 GO:0036312 GO:0042993 GO:0043551 GO:0045785 GO:0045944 GO:0046854 GO:0046935 GO:0046982 GO:0051492 GO:0090003 GO:2001275
110.060.3453.840.010.482lemA 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
120.060.3815.400.030.615ca9A GO:0000166 GO:0003924 GO:0005525 GO:0005783 GO:0005789 GO:0007029 GO:0008645 GO:0009405 GO:0016020 GO:0016021 GO:0016787 GO:0035690
130.060.4255.350.070.674bejB GO:0000166 GO:0000266 GO:0001836 GO:0003374 GO:0003924 GO:0005525 GO:0005737 GO:0005739 GO:0005741 GO:0005777 GO:0005794 GO:0005829 GO:0005874 GO:0005903 GO:0005905 GO:0006897 GO:0006921 GO:0008289 GO:0010821 GO:0012501 GO:0012505 GO:0015630 GO:0016020 GO:0016559 GO:0016787 GO:0030054 GO:0030672 GO:0031410 GO:0031625 GO:0032459 GO:0042802 GO:0042803 GO:0043065 GO:0043231 GO:0043234 GO:0043653 GO:0045202 GO:0048471 GO:0050714 GO:0051289 GO:0060047 GO:0061025 GO:0070266 GO:0070584 GO:0070585 GO:0090141 GO:0090149 GO:0090200 GO:1900063 GO:1903146 GO:1903578 GO:2001244
140.060.2565.570.030.453qluB GO:0004872 GO:0004970 GO:0005216 GO:0005234 GO:0005783 GO:0005886 GO:0006621 GO:0006810 GO:0006811 GO:0007268 GO:0008066 GO:0008328 GO:0014069 GO:0015277 GO:0016020 GO:0016021 GO:0017124 GO:0030054 GO:0030165 GO:0030424 GO:0030425 GO:0031630 GO:0032983 GO:0034220 GO:0035235 GO:0035249 GO:0042391 GO:0042734 GO:0042802 GO:0043005 GO:0043025 GO:0043113 GO:0043195 GO:0043204 GO:0043525 GO:0045202 GO:0045211 GO:0051649 GO:0060079 GO:0071333
150.060.3034.740.020.463w6nB GO:0000166 GO:0000266 GO:0001836 GO:0003374 GO:0003924 GO:0005525 GO:0005737 GO:0005739 GO:0005741 GO:0005777 GO:0005794 GO:0005829 GO:0005874 GO:0005903 GO:0005905 GO:0006897 GO:0006921 GO:0008289 GO:0010821 GO:0012501 GO:0012505 GO:0015630 GO:0016020 GO:0016559 GO:0016787 GO:0030054 GO:0030672 GO:0031410 GO:0031625 GO:0032459 GO:0042802 GO:0042803 GO:0043065 GO:0043231 GO:0043234 GO:0043653 GO:0045202 GO:0048471 GO:0050714 GO:0051289 GO:0060047 GO:0061025 GO:0070266 GO:0070584 GO:0070585 GO:0090141 GO:0090149 GO:0090200 GO:1900063 GO:1903146 GO:1903578 GO:2001244
160.060.2194.410.000.324b2th GO:0000166 GO:0005524 GO:0005737 GO:0005832 GO:0006457 GO:0051082
170.060.2624.980.070.404h1uA GO:0000166 GO:0000266 GO:0001836 GO:0003374 GO:0003924 GO:0005525 GO:0005737 GO:0005739 GO:0005741 GO:0005777 GO:0005794 GO:0005829 GO:0005874 GO:0005903 GO:0005905 GO:0006897 GO:0006921 GO:0008289 GO:0010821 GO:0012501 GO:0012505 GO:0015630 GO:0016020 GO:0016559 GO:0016787 GO:0030054 GO:0030672 GO:0031410 GO:0031625 GO:0032459 GO:0042802 GO:0042803 GO:0043065 GO:0043231 GO:0043234 GO:0043653 GO:0045202 GO:0048471 GO:0050714 GO:0051289 GO:0060047 GO:0061025 GO:0070266 GO:0070584 GO:0070585 GO:0090141 GO:0090149 GO:0090200 GO:1900063 GO:1903146 GO:1903578 GO:2001244
180.060.2643.030.060.323kwoA GO:0005737 GO:0006879 GO:0006950 GO:0008199 GO:0016491 GO:0042262 GO:0046872 GO:0055114


Consensus prediction of GO terms
 
Molecular Function GO:0032550 GO:0035639 GO:0032561
GO-Score 0.39 0.39 0.39
Biological Processes GO:0050860 GO:0050848 GO:0070373 GO:1900041 GO:1900025 GO:0060333 GO:1903077 GO:0051607 GO:0006914 GO:0043547 GO:0008360 GO:0010976 GO:0051297 GO:2000145 GO:0043304 GO:0038083 GO:0031116 GO:0001578 GO:0006935 GO:0007173 GO:0045639 GO:2000251 GO:0042127
GO-Score 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.11 0.11 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07
Cellular Component GO:0044444 GO:0012505 GO:0043231 GO:0071944 GO:0097708
GO-Score 0.57 0.39 0.39 0.39 0.33

(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.