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I-TASSER results for job id Rv0544c

[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
10.11 11 3abwD 22B Rep, Mult 23,58,62,66
20.08 8 1vf5N CLA Rep, Mult 21,24,25,68
30.05 5 2y04B 2CV Rep, Mult 58,59
40.04 4 1vf5A CLA Rep, Mult 24,28,67
50.04 4 4brbB 78N Rep, Mult 67,71
60.04 4 1kb9D PIE Rep, Mult 51,54,55,58,59
70.03 3 3spcA P8P Rep, Mult 46,47,48
80.03 3 4brbD 78N Rep, Mult 59,62,66,67,70,71
90.03 3 4f4sN EFO Rep, Mult 60,61,64
100.02 2 4zzcA XE Rep, Mult 17,20,67,70
110.02 2 3chxC III Rep, Mult 18,21,25,28
120.02 2 1kf6O CE1 Rep, Mult 18,19,22
130.01 1 2o013 CLA Rep, Mult 16,19
140.01 1 2oyqD QNA Rep, Mult 26,30,31,33
150.01 1 2yl4A CDL Rep, Mult 3,4,8,9,13,16,17,20

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
10.1451urfA0.5672.940.0490.7612.7.11.1318,73
20.1281joyA0.4543.210.0810.6742.7.13.324
30.1061a91A0.5223.170.1300.8153.6.3.14NA
40.0671wu0A0.5143.000.0700.7613.6.3.14NA
50.0601t9gC0.5972.740.0690.8041.3.99.3NA
60.0601dofA0.5963.300.1430.8484.3.2.2NA
70.0602pfdB0.6262.940.0830.9022.1.2.5,4.3.1.4NA
80.0602fonB0.6013.340.0460.8481.3.3.6NA
90.0603btaA0.5803.290.0580.8803.4.24.69NA
100.0603i9wA0.5992.890.0670.8372.7.13.322,27,29
110.0601sc7A0.6062.450.0710.7835.99.1.2NA
120.0602e9fB0.6213.160.0800.8704.3.2.18
130.0603mddA0.5882.880.0690.8041.3.99.360
140.0603djlA0.5942.970.0580.8151.3.99.-NA
150.0602b5uA0.5982.870.0560.8373.1.-.-NA
160.0601jswB0.5933.350.0590.8804.3.1.1NA
170.0601u7lA0.6293.400.0670.9133.6.3.1458
180.0601yfmA0.6193.280.0450.8914.2.1.2NA
190.0602wlaA0.6132.380.0530.8041.16.3.117,20
200.0602wbiB0.5993.340.1140.8481.3.99.-26
210.0601udyA0.5922.810.0690.8041.3.99.3NA
220.0601rx0A0.5933.150.1400.8261.3.99.-NA
230.0601j3uA0.5862.980.0630.8264.3.1.1NA

(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
00.190.6053.110.060.852y3aB 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:0019903 GO:0030833 GO:0030971 GO:0032869 GO:0034976 GO:0036092 GO:0036312 GO:0042325 GO:0042993 GO:0043551 GO:0045785 GO:0045944 GO:0046935 GO:0046982 GO:0051492 GO:0090003
10.190.5782.300.040.763p30A
20.150.4572.330.040.621jpxD GO:0005198 GO:0016020 GO:0016021 GO:0019031
30.130.6313.000.090.905iitC GO:0000122 GO:0000182 GO:0000228 GO:0000329 GO:0000784 GO:0000785 GO:0000786 GO:0000790 GO:0000793 GO:0000822 GO:0000977 GO:0000979 GO:0001046 GO:0001558 GO:0001739 GO:0001740 GO:0003677 GO:0003682 GO:0005634 GO:0005694 GO:0005721 GO:0005730 GO:0005773 GO:0005774 GO:0005783 GO:0006334 GO:0006342 GO:0006797 GO:0006799 GO:0007034 GO:0007549 GO:0008976 GO:0010385 GO:0016020 GO:0016021 GO:0016237 GO:0016310 GO:0016568 GO:0019216 GO:0019899 GO:0019901 GO:0030291 GO:0031310 GO:0031490 GO:0031492 GO:0033128 GO:0033254 GO:0034184 GO:0035098 GO:0040029 GO:0042144 GO:0044212 GO:0045618 GO:0045814 GO:0045815 GO:0046982 GO:0048016 GO:0051572 GO:0061086 GO:0061187 GO:0070062 GO:0071169 GO:0071901 GO:1901837 GO:1902750 GO:1904815
40.110.5612.670.010.741jq0A GO:0005198 GO:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0039663 GO:0044174 GO:0044175 GO:0046718 GO:0055036
50.100.5342.550.050.723k9aA
60.100.5643.300.050.853wfvA GO:0005198 GO:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0020002 GO:0033644 GO:0039663 GO:0044174 GO:0044175 GO:0046718 GO:0055036
70.090.6493.030.110.915ijhB GO:0000822 GO:0001618 GO:0004872 GO:0004888 GO:0004930 GO:0005794 GO:0005886 GO:0007186 GO:0009615 GO:0015114 GO:0015562 GO:0016020 GO:0016021 GO:0030643 GO:0031226 GO:0035435 GO:0046718
80.070.6792.800.030.932nrjA GO:0005576 GO:0009405 GO:0016020 GO:0016021 GO:0019835 GO:0020002 GO:0033644 GO:0044179
90.070.6343.110.060.903cwgB GO:0000790 GO:0000978 GO:0000981 GO:0001077 GO:0001103 GO:0001228 GO:0001659 GO:0001754 GO:0003677 GO:0003700 GO:0004871 GO:0004879 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005743 GO:0005829 GO:0005886 GO:0006351 GO:0006355 GO:0006366 GO:0006606 GO:0006953 GO:0007165 GO:0007259 GO:0007568 GO:0008134 GO:0008283 GO:0008285 GO:0010033 GO:0010628 GO:0010730 GO:0014070 GO:0016310 GO:0019221 GO:0019827 GO:0019901 GO:0019903 GO:0019953 GO:0030522 GO:0031490 GO:0031730 GO:0032355 GO:0032870 GO:0033210 GO:0034097 GO:0035259 GO:0035278 GO:0040014 GO:0042493 GO:0042517 GO:0042593 GO:0042755 GO:0042802 GO:0043066 GO:0043434 GO:0043565 GO:0044212 GO:0044320 GO:0044321 GO:0045471 GO:0045747 GO:0045820 GO:0045893 GO:0045944 GO:0046902 GO:0046983 GO:0048708 GO:0051726 GO:0060019 GO:0060259 GO:0060396 GO:0060397 GO:0060548 GO:0070102 GO:0071345 GO:0071407 GO:0090575 GO:0097009 GO:1901215 GO:1902728 GO:1902895 GO:1904685 GO:2000637 GO:2000737 GO:2001171 GO:2001223
100.070.5713.000.050.744y5wA GO:0000122 GO:0000790 GO:0000979 GO:0002296 GO:0002829 GO:0003677 GO:0003700 GO:0004871 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006351 GO:0006355 GO:0006357 GO:0007165 GO:0019221 GO:0019903 GO:0032481 GO:0033598 GO:0034097 GO:0035771 GO:0042127 GO:0042802 GO:0043565 GO:0045121 GO:0045944 GO:0048295 GO:0060443 GO:0070301 GO:1902170
110.070.6103.180.070.891yvlB GO:0000122 GO:0000790 GO:0000978 GO:0000979 GO:0000983 GO:0001937 GO:0002053 GO:0003340 GO:0003677 GO:0003690 GO:0003700 GO:0004871 GO:0005164 GO:0005634 GO:0005654 GO:0005730 GO:0005737 GO:0005829 GO:0005913 GO:0006351 GO:0006355 GO:0006357 GO:0006915 GO:0007165 GO:0007259 GO:0008015 GO:0016032 GO:0016525 GO:0019899 GO:0030424 GO:0030425 GO:0033209 GO:0034097 GO:0035456 GO:0035458 GO:0042802 GO:0042803 GO:0042981 GO:0043124 GO:0043434 GO:0043542 GO:0045893 GO:0045944 GO:0046725 GO:0048471 GO:0048661 GO:0051591 GO:0051607 GO:0060333 GO:0060334 GO:0060337 GO:0060338 GO:0061326 GO:0071345 GO:0071407 GO:0072136 GO:0072162 GO:0072308 GO:0098609 GO:0098641
120.070.6223.040.070.894e68A GO:0000790 GO:0000978 GO:0000981 GO:0001077 GO:0001103 GO:0001228 GO:0001659 GO:0001754 GO:0003677 GO:0003700 GO:0004871 GO:0004879 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0005743 GO:0005829 GO:0005886 GO:0006351 GO:0006355 GO:0006366 GO:0006606 GO:0006953 GO:0007165 GO:0007259 GO:0007568 GO:0008134 GO:0008283 GO:0008285 GO:0010033 GO:0010628 GO:0010730 GO:0014070 GO:0016310 GO:0019221 GO:0019827 GO:0019901 GO:0019903 GO:0019953 GO:0030522 GO:0031490 GO:0031730 GO:0032355 GO:0032870 GO:0033210 GO:0034097 GO:0035259 GO:0035278 GO:0040014 GO:0042493 GO:0042517 GO:0042593 GO:0042755 GO:0042802 GO:0043066 GO:0043434 GO:0043565 GO:0044212 GO:0044320 GO:0044321 GO:0045471 GO:0045747 GO:0045820 GO:0045893 GO:0045944 GO:0046902 GO:0046983 GO:0048708 GO:0051726 GO:0060019 GO:0060259 GO:0060396 GO:0060397 GO:0060548 GO:0070102 GO:0071345 GO:0071407 GO:0090575 GO:0097009 GO:1901215 GO:1902728 GO:1902895 GO:1904685 GO:2000637 GO:2000737 GO:2001171 GO:2001223
130.070.6822.770.090.891y1uA GO:0000255 GO:0000979 GO:0001553 GO:0001779 GO:0001938 GO:0003677 GO:0003700 GO:0004871 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006101 GO:0006103 GO:0006105 GO:0006107 GO:0006351 GO:0006355 GO:0006357 GO:0006549 GO:0006573 GO:0006600 GO:0006631 GO:0007165 GO:0007259 GO:0007565 GO:0007595 GO:0008284 GO:0018108 GO:0019218 GO:0019221 GO:0019530 GO:0019903 GO:0019915 GO:0030155 GO:0030856 GO:0030879 GO:0032825 GO:0033026 GO:0033077 GO:0038161 GO:0040014 GO:0040018 GO:0042104 GO:0043029 GO:0043066 GO:0043434 GO:0043536 GO:0045086 GO:0045579 GO:0045588 GO:0045621 GO:0045647 GO:0045931 GO:0045944 GO:0045954 GO:0046449 GO:0046543 GO:0046544 GO:0048541 GO:0050729 GO:0060376 GO:0060397 GO:0060740 GO:0060742 GO:0061180 GO:0070668 GO:0071345 GO:0071407 GO:0097011
140.070.5173.280.050.704y5uA GO:0000122 GO:0000790 GO:0000979 GO:0002296 GO:0002829 GO:0003677 GO:0003700 GO:0004871 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006351 GO:0006355 GO:0006357 GO:0007165 GO:0019221 GO:0019903 GO:0032481 GO:0033598 GO:0034097 GO:0035771 GO:0042127 GO:0042802 GO:0043565 GO:0045121 GO:0045944 GO:0048295 GO:0060443 GO:0070301 GO:1902170
150.070.6042.970.040.884k1pB GO:0009405 GO:0016020
160.070.5453.520.070.891uusA GO:0003677 GO:0003700 GO:0004871 GO:0005634 GO:0005737 GO:0005829 GO:0006351 GO:0006355 GO:0007165 GO:0010468 GO:0010628 GO:0030587 GO:0031149 GO:0031154 GO:0042803 GO:0044351 GO:0045892
170.070.5413.700.060.905iigA GO:0000329 GO:0000822 GO:0005773 GO:0005774 GO:0005783 GO:0006797 GO:0006799 GO:0007034 GO:0008976 GO:0016020 GO:0016021 GO:0016237 GO:0016310 GO:0031310 GO:0033254 GO:0042144 GO:0048016
180.070.6673.030.080.915ijpA GO:0016020 GO:0016021
190.070.6582.740.070.895ijjA GO:0006629 GO:0008081
200.060.3893.930.060.653cxlA GO:0005070 GO:0005096 GO:0005737 GO:0005829 GO:0007165 GO:0007399 GO:0008045 GO:0009967 GO:0035556 GO:0043087 GO:0043547 GO:0046872 GO:0046875 GO:0048013 GO:0050770 GO:0051056
210.060.4173.520.050.662z7eB GO:0005506 GO:0005737 GO:0006879 GO:0008198 GO:0016226 GO:0036455 GO:0044571 GO:0046872 GO:0051536 GO:0051537 GO:0051539 GO:0097428
220.060.3564.720.020.743nvaA GO:0000166 GO:0003883 GO:0005524 GO:0006221 GO:0006541 GO:0016874 GO:0044210
230.060.3803.730.060.663cddD GO:0016032 GO:0019038


Consensus prediction of GO terms		 
Molecular Function GO:0046983 GO:0043548 GO:0019902 GO:0005102 GO:1990782 GO:0035014 GO:0035004 GO:0052742
GO-Score 0.59 0.38 0.38 0.38 0.38 0.38 0.38 0.38
Biological Processes GO:0042990 GO:0090002 GO:0006914 GO:0042307 GO:0045893 GO:0043550 GO:0030155 GO:0032271 GO:0006661 GO:0030041 GO:0033554 GO:0032869 GO:0042593 GO:1903725 GO:0008064 GO:1903076 GO:0055082 GO:0043149 GO:0007169 GO:0032231 GO:0048015 GO:0006357
GO-Score 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38 0.38
Cellular Component GO:0043231 GO:0036338 GO:0005924 GO:0098796 GO:0061695 GO:0019898 GO:0016021
GO-Score 0.59 0.49 0.38 0.38 0.38 0.38 0.34

(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.