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I-TASSER results for job id Rv2431c

[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
10.20 62 2e42A NUC Rep, Mult 51,52,55,56,58,59,60
20.09 30 3bknC HEM Rep, Mult 26,29,30,33,60,64,67,68,70,71
30.09 16 2e42B NUC Rep, Mult 54,55,58,59,61,62,63,65
40.06 16 3rd0A EDP Rep, Mult 19,22,23,70,74
50.05 18 3a5tA NUC Rep, Mult 59,63,66,67,70,73
60.03 10 2inpB FE Rep, Mult 18,73,76
70.03 9 3fyiA DMU Rep, Mult 8,10,80,84,87
80.03 8 2ix7C CYS Rep, Mult 68,71
90.03 9 2wt7B NUC Rep, Mult 55,56,60,63,64,67
100.02 8 1mz9B VDY Rep, Mult 59,62,66
110.01 2 2ck3G III Rep, Mult 39,48,49,52
120.00 1 3c9iB XE Rep, Mult 18,21
130.00 1 3e4oA MG Rep, Mult 84,90,91,92
140.00 1 2x2vH DPV Rep, Mult 32,39

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
10.3882w5jA0.4962.720.0930.6973.6.3.1474
20.2723e7kH0.4811.600.0710.5452.7.11.156,58,64
30.2101cxzB0.5892.500.1070.7582.7.11.1324,26
40.2032h8nA0.5221.370.0300.5663.5.1.9873,75
50.1841wt6B0.5121.170.1820.5562.7.11.119
60.1461vp7B0.4962.660.0670.6463.1.11.6NA
70.1401urfA0.5582.510.0910.7172.7.11.1318,26
80.1311joyA0.4592.430.0820.5962.7.13.3NA
90.0951wu0A0.5182.400.0430.6873.6.3.14NA
100.0603btaA0.5903.550.0630.9503.4.24.6917
110.0603g61A0.7052.820.0520.9393.6.3.44NA
120.0603e04D0.6432.690.1010.8384.2.1.272,79
130.0602zr3B0.6193.110.0210.8596.1.1.11NA
140.0602pfmA0.6702.680.0430.8494.3.2.2NA
150.0602pfdB0.6172.660.0510.8492.1.2.5,4.3.1.416
160.0603czoB0.5913.260.0560.8494.3.1.3NA
170.0602nyfA0.5902.770.0340.8184.3.1.511
180.0603i9wA0.6782.780.0820.9392.7.13.3NA
190.0602np0A0.5643.720.0650.9293.4.24.69NA
200.0602vuaA0.3034.930.0000.5763.4.24.697
210.0601mhyD0.5892.640.0570.7681.14.13.25NA
220.0602fonB0.6503.340.1030.8891.3.3.618,74
230.0601c3cA0.6522.540.0340.8184.3.2.2NA
240.0601w07B0.6423.120.1030.8791.3.3.6NA
250.0601eiyA0.5942.610.0840.7786.1.1.2051
260.0603no9A0.5913.800.0310.9394.2.1.212,79,81
270.0601fziA0.5942.600.0460.7681.14.13.25NA
280.0601yisA0.6182.420.1050.8084.3.2.2NA

(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
00.640.8190.831.000.864kxrA GO:0005576 GO:0009405
10.450.4931.690.050.551ysaC GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
20.280.7432.470.100.963zx6A GO:0004871 GO:0004888 GO:0005886 GO:0005887 GO:0006935 GO:0007165 GO:0016020 GO:0016021 GO:0043200 GO:0043424 GO:0046872 GO:0048870
30.260.7921.760.050.933g67A GO:0004871 GO:0007165 GO:0016020
40.250.7512.270.090.962eflA GO:0005086 GO:0005737 GO:0005764 GO:0005802 GO:0005856 GO:0005886 GO:0005905 GO:0005938 GO:0006897 GO:0008289 GO:0016020 GO:0016023 GO:0016192 GO:0031410 GO:0042802 GO:0043547
50.240.4811.640.070.551dh3A GO:0000785 GO:0000790 GO:0000975 GO:0000978 GO:0000980 GO:0001102 GO:0001190 GO:0001666 GO:0003677 GO:0003690 GO:0003700 GO:0003705 GO:0005634 GO:0005654 GO:0005667 GO:0005719 GO:0005739 GO:0005759 GO:0006351 GO:0006355 GO:0006366 GO:0006468 GO:0007179 GO:0007219 GO:0007409 GO:0007568 GO:0007595 GO:0007613 GO:0007623 GO:0008134 GO:0008361 GO:0008542 GO:0010033 GO:0010629 GO:0010944 GO:0014823 GO:0019899 GO:0021983 GO:0030154 GO:0030424 GO:0030544 GO:0030879 GO:0032916 GO:0033363 GO:0033762 GO:0034670 GO:0035035 GO:0035094 GO:0035497 GO:0035729 GO:0036120 GO:0036276 GO:0040018 GO:0042493 GO:0042752 GO:0042802 GO:0042981 GO:0043065 GO:0043565 GO:0044212 GO:0045600 GO:0045672 GO:0045893 GO:0045899 GO:0045944 GO:0046887 GO:0046889 GO:0048145 GO:0048511 GO:0050821 GO:0055025 GO:0060251 GO:0060428 GO:0060430 GO:0060509 GO:0071294 GO:0071363 GO:0071398 GO:0071560 GO:1900273 GO:1901215 GO:1902065 GO:1990090 GO:1990314 GO:1990589 GO:1990763
60.220.4951.720.050.574c46C GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
70.210.4610.660.060.473he5A
80.200.4951.630.070.551kqlA GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0003677 GO:0003682 GO:0003700 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0042802 GO:0043565 GO:0045899 GO:0060261 GO:1903833
90.200.6282.740.050.873q0kD 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
100.190.7862.030.080.942efkA GO:0001891 GO:0005086 GO:0005096 GO:0005654 GO:0005737 GO:0005764 GO:0005794 GO:0005802 GO:0005829 GO:0005856 GO:0005886 GO:0005938 GO:0006897 GO:0007154 GO:0007165 GO:0008289 GO:0016020 GO:0016192 GO:0030036 GO:0042802 GO:0042995 GO:0043231 GO:0043547 GO:0048471 GO:0051056 GO:0070062
110.180.7921.940.060.942v0oA GO:0001786 GO:0005546 GO:0005886 GO:0005905 GO:0006897 GO:0010324 GO:0016020 GO:0030136 GO:0035091 GO:0048268 GO:0072583 GO:0072659
120.170.7042.080.040.854bneA 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
130.170.6982.020.060.843i2wA GO:0000281 GO:0005543 GO:0005768 GO:0005829 GO:0005886 GO:0007053 GO:0007112 GO:0007269 GO:0008289 GO:0030100 GO:0030496 GO:0032154 GO:0036090 GO:0045211 GO:0045887 GO:0048488 GO:0061024 GO:0071212
140.170.5211.690.100.583tnuB GO:0005198 GO:0005200 GO:0005634 GO:0005737 GO:0005739 GO:0005829 GO:0005882 GO:0005886 GO:0008544 GO:0016020 GO:0031581 GO:0045095 GO:0070062 GO:0097110
150.160.7632.080.110.952ch7A GO:0004871 GO:0005886 GO:0006935 GO:0007165 GO:0016020 GO:0016021
160.150.5832.600.050.751eboF GO:0005576 GO:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0020002 GO:0030683 GO:0033644 GO:0039502 GO:0039503 GO:0039587 GO:0039654 GO:0039663 GO:0046718 GO:0055036 GO:0075509 GO:0075512
170.140.4541.820.090.531gk6A GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0001948 GO:0003677 GO:0003682 GO:0003700 GO:0003725 GO:0005198 GO:0005200 GO:0005212 GO:0005634 GO:0005667 GO:0005737 GO:0005777 GO:0005829 GO:0005856 GO:0005882 GO:0005886 GO:0005925 GO:0006351 GO:0006355 GO:0006366 GO:0006928 GO:0008022 GO:0008652 GO:0010628 GO:0010691 GO:0010977 GO:0014002 GO:0016032 GO:0030049 GO:0031012 GO:0031252 GO:0042802 GO:0042995 GO:0043005 GO:0043565 GO:0045103 GO:0045109 GO:0045111 GO:0045899 GO:0060020 GO:0060261 GO:0060395 GO:0070062 GO:0070307 GO:0097110 GO:1903833 GO:1990254
180.140.6073.230.100.873syvB GO:0005654 GO:0005737 GO:0005768 GO:0005802 GO:0005886 GO:0006897 GO:0008092 GO:0008289 GO:0016020 GO:0019855 GO:0045806 GO:0051044 GO:0051926 GO:0070062 GO:0097320
190.140.6912.080.060.843i2wB GO:0000281 GO:0005543 GO:0005768 GO:0005829 GO:0005886 GO:0007053 GO:0007112 GO:0007269 GO:0008289 GO:0030100 GO:0030496 GO:0032154 GO:0036090 GO:0045211 GO:0045887 GO:0048488 GO:0061024 GO:0071212
200.140.6742.630.040.961sjjA GO:0001725 GO:0001726 GO:0003779 GO:0005509 GO:0005623 GO:0005737 GO:0005856 GO:0005886 GO:0005915 GO:0005923 GO:0005925 GO:0016020 GO:0016328 GO:0017166 GO:0030018 GO:0030027 GO:0030054 GO:0030274 GO:0030486 GO:0031252 GO:0042383 GO:0042803 GO:0042995 GO:0045214 GO:0046872 GO:0048741 GO:0051015 GO:0051017 GO:0051219 GO:0051393 GO:0051764 GO:0090636 GO:0090637 GO:0097433 GO:1990357
210.140.6722.650.130.913m3wB GO:0005654 GO:0005737 GO:0005768 GO:0005802 GO:0005886 GO:0006897 GO:0008092 GO:0008289 GO:0016020 GO:0019855 GO:0045806 GO:0051044 GO:0051926 GO:0070062 GO:0097320
220.130.7512.300.050.955c1fA GO:0001786 GO:0005547 GO:0005737 GO:0005826 GO:0005829 GO:0005856 GO:0007049 GO:0007067 GO:0051301 GO:0070273 GO:1903475
230.120.7372.590.080.943syvC GO:0005654 GO:0005737 GO:0005768 GO:0005802 GO:0005886 GO:0006897 GO:0008092 GO:0008289 GO:0016020 GO:0019855 GO:0045806 GO:0051044 GO:0051926 GO:0070062 GO:0097320
240.120.5462.930.150.791envA GO:0000122 GO:0000790 GO:0000978 GO:0000981 GO:0001080 GO:0001084 GO:0001135 GO:0001190 GO:0001191 GO:0002223 GO:0003677 GO:0003682 GO:0003700 GO:0005198 GO:0005634 GO:0005667 GO:0006351 GO:0006355 GO:0006366 GO:0008652 GO:0010691 GO:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0019064 GO:0019082 GO:0020002 GO:0030683 GO:0033644 GO:0039654 GO:0039663 GO:0042802 GO:0043565 GO:0044174 GO:0044175 GO:0045899 GO:0046718 GO:0055036 GO:0060261 GO:0075509 GO:0075512 GO:1903833
250.120.6762.740.100.913qniA 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
260.110.6252.870.060.883haiA 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
270.100.8052.030.100.961ciiA GO:0005886 GO:0016020 GO:0016021 GO:0019835 GO:0042742 GO:0050829


Consensus prediction of GO terms		 
Molecular Function GO:0042802 GO:0043169 GO:0038023 GO:0099600 GO:0019901 GO:0005085 GO:0003682 GO:0001084 GO:0000981 GO:0000978 GO:0001135 GO:0001190
GO-Score 0.59 0.56 0.56 0.56 0.56 0.50 0.45 0.45 0.45 0.45 0.45 0.45
Biological Processes GO:0009405 GO:0001101 GO:0006928 GO:1901700 GO:0042330 GO:0051674 GO:0043087 GO:0051345 GO:0016192 GO:0007165 GO:0001080 GO:0008652 GO:0010691 GO:1903833 GO:0045899
GO-Score 0.64 0.56 0.56 0.56 0.56 0.56 0.50 0.50 0.50 0.47 0.45 0.45 0.45 0.45 0.45
Cellular Component GO:0005576 GO:0031226 GO:0000323 GO:0097708 GO:0031988 GO:0099568 GO:0098791 GO:0098589 GO:0005667 GO:0000790
GO-Score 0.64 0.56 0.50 0.50 0.50 0.50 0.50 0.50 0.45 0.45

(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.