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I-TASSER results for job id Rv3652

[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
10.13 14 3rd0A EDP Rep, Mult 26,29,30,63,67
20.07 6 1fbmE RTL Rep, Mult 55,59,62,66,69
30.05 6 5l1gC GYB Rep, Mult 55,58,59,62
40.05 5 2y02A 2CV Rep, Mult 22,25,66,70,73
50.04 4 3u90A SDS Rep, Mult 29,63,67,71
60.04 4 4m1mA HG Rep, Mult 18,19,77
70.03 3 1mneA POP Rep, Mult 36,37,38,39,40,41,54,55
80.03 3 3l39A PO4 Rep, Mult 19,74,77,78,81
90.03 3 2h7hA NUC Rep, Mult 45,46,49,53
100.02 2 2ix7C CYS Rep, Mult 57,60
110.02 2 4l35A 22B Rep, Mult 17,18,25,66,73,77
120.01 1 2bkkC MG Rep, Mult 1,2
130.01 1 1p3uA NO Rep, Mult 23,26,27
140.01 1 1l5nA PO4 Rep, Mult 27,29,43,44
150.01 1 4dmbA MG Rep, Mult 9,17
160.01 1 3fk7A 4DM Rep, Mult 83,87
170.01 1 3mylX POP Rep, Mult 25,26,27,30,31,32,66

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
10.3422w5jA0.4752.610.0920.6443.6.3.1456
20.1691cxzB0.5452.560.0400.7022.7.11.1321
30.1391urfA0.5052.310.0850.6352.7.11.13NA
40.1091wu0A0.5262.220.0850.6733.6.3.14NA
50.0681a91A0.5222.930.0660.7213.6.3.14NA
60.0601c3cA0.5992.810.0500.7794.3.2.2NA
70.0602yyjA0.5683.920.0690.8941.14.13.3NA
80.0601clqA0.6583.270.0960.9712.7.7.726
90.0601yfmA0.5963.430.0640.8854.2.1.2NA
100.0601wleB0.6123.410.0580.9136.1.1.11NA
110.0603e04D0.6092.970.0940.8084.2.1.2NA
120.0601sesA0.5713.500.0390.8656.1.1.1133,63
130.0602zr3B0.6123.510.0610.8856.1.1.1120,22,67
140.0601yisA0.5663.310.0320.8274.3.2.2NA
150.0601k62B0.5993.320.0400.7884.3.2.1NA
160.0602e9fB0.5763.680.0760.8854.3.2.1NA
170.0601cc1L0.5973.350.1020.8561.12.99.6NA
180.0602iw5A0.6262.350.0190.7691.-.-.-37
190.0601tj7A0.5913.440.0970.8854.3.2.1NA
200.0601syyA0.5882.890.0630.7981.17.4.1NA
210.0601dofA0.5843.390.0620.8564.3.2.241
220.0603czoB0.5733.460.0420.8654.3.1.3NA
230.0601serB0.5753.480.0620.8376.1.1.1163
240.0603i9wA0.5862.380.0590.7402.7.13.331,65,67

(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
00.310.7131.750.220.784kxrA GO:0005576 GO:0009405
10.230.6922.680.060.931wa8A GO:0005576
20.200.6292.680.050.814l1bB GO:0001678 GO:0001953 GO:0005068 GO:0005158 GO:0005159 GO:0005168 GO:0005634 GO:0005737 GO:0005801 GO:0005829 GO:0005886 GO:0005911 GO:0005942 GO:0005943 GO:0006468 GO:0006661 GO:0006810 GO:0007162 GO:0007165 GO:0007173 GO:0008134 GO:0008286 GO:0008625 GO:0008630 GO:0014065 GO:0014066 GO:0015031 GO:0016020 GO:0016032 GO:0016303 GO:0019903 GO:0030168 GO:0030183 GO:0030335 GO:0031295 GO:0032760 GO:0032869 GO:0033120 GO:0034644 GO:0034976 GO:0035014 GO:0036092 GO:0036312 GO:0038095 GO:0038096 GO:0038128 GO:0042993 GO:0043066 GO:0043125 GO:0043548 GO:0043551 GO:0043559 GO:0043560 GO:0045671 GO:0045944 GO:0046326 GO:0046854 GO:0046934 GO:0046935 GO:0046982 GO:0048009 GO:0048010 GO:0048015 GO:0050821 GO:0050852 GO:0050900 GO:0051492 GO:0051531 GO:0060396 GO:0090003 GO:0090004 GO:1900103 GO:1990578 GO:2001275
30.160.6733.160.040.931ciiA GO:0005886 GO:0016020 GO:0016021 GO:0019835 GO:0042742 GO:0050829
40.090.6763.200.040.914e68A 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
50.080.6743.030.040.903cwgB 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
60.070.6253.360.010.921y1uA 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
70.070.6683.150.030.911yvlB 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
80.070.5723.860.070.924dnkB GO:0000165 GO:0003714 GO:0005634 GO:0005737 GO:0005739 GO:0005829 GO:0005913 GO:0005925 GO:0006605 GO:0008022 GO:0016020 GO:0016032 GO:0017053 GO:0019899 GO:0019904 GO:0030659 GO:0032403 GO:0035308 GO:0035329 GO:0042470 GO:0042826 GO:0043085 GO:0043234 GO:0043488 GO:0045744 GO:0045892 GO:0048471 GO:0050815 GO:0051219 GO:0051220 GO:0051291 GO:0061024 GO:0070062 GO:0098609 GO:0098641 GO:1900740
90.070.5213.080.040.694yuub1 GO:0009507 GO:0009521 GO:0009523 GO:0009535 GO:0009536 GO:0009579 GO:0009767 GO:0009772 GO:0015979 GO:0016020 GO:0016021 GO:0016168 GO:0018298 GO:0019684 GO:0045156
100.070.5453.230.040.754y5wA 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
110.070.4523.250.060.644y5uA 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
120.070.6023.060.040.851uusA 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
130.070.4194.040.010.683fewX GO:0016020 GO:0016021 GO:0019835 GO:0050829
140.070.3973.790.030.684wqoD GO:0000082 GO:0005654 GO:0005730 GO:0005829 GO:0006511 GO:0007050 GO:0008285 GO:0016032 GO:0016567 GO:0030163 GO:0030891 GO:0031461 GO:0031462 GO:0031625 GO:0032403 GO:0042787 GO:0061418 GO:0061630 GO:0097193
150.070.4673.520.090.683layJ GO:0008270 GO:0042597
160.070.4414.400.050.742blmA GO:0005886 GO:0008800 GO:0016020 GO:0016787 GO:0030655 GO:0046677
170.070.4642.410.060.591rh1A GO:0005886 GO:0009405 GO:0016020 GO:0016021 GO:0019835 GO:0042742 GO:0050829
180.060.4992.600.070.641a87A GO:0005886 GO:0016020 GO:0016021 GO:0019835 GO:0042742 GO:0050829


Consensus prediction of GO terms		 
Molecular Function GO:0019902 GO:0035591 GO:0035004 GO:0030971 GO:0017046 GO:0004871 GO:0052813 GO:0005167 GO:0030674 GO:0052742 GO:0032403 GO:0035014 GO:0046983
GO-Score 0.56 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
Biological Processes GO:0006357 GO:0043069 GO:0042981 GO:0045893 GO:0071378 GO:0043484 GO:1903078 GO:0042990 GO:0007596 GO:0031647 GO:0001952 GO:0006464 GO:0030098 GO:0046834 GO:0044764 GO:0009967 GO:0014065 GO:1900101 GO:0002433 GO:1902531 GO:0097193 GO:0010812 GO:0042307 GO:0030334 GO:0050851 GO:0006974 GO:0046326 GO:0042113 GO:1900078 GO:0038094 GO:2000147 GO:0050870 GO:0031294 GO:1903725 GO:1903557 GO:0009411 GO:0038127 GO:0045670 GO:0006661 GO:0090003 GO:0044403 GO:0002762 GO:0055082 GO:0043149 GO:0097191 GO:0043550 GO:0032231 GO:2001273 GO:0032680 GO:0042593 GO:0071482 GO:0002431 GO:0042742 GO:0009405
GO-Score 0.56 0.56 0.56 0.56 0.56 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.32 0.31
Cellular Component GO:0005576 GO:0097651 GO:0030054 GO:0042175 GO:0097038 GO:0005886
GO-Score 0.47 0.41 0.41 0.41 0.41 0.40

(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.