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I-TASSER results for job id Rv0288

[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
10.15 6 2y02A 2CV Rep, Mult 29,32,58,62,65
20.06 2 3favB IMD Rep, Mult 27,28,31
30.05 2 2xquC CVM Rep, Mult 29,32
40.02 1 1bf5A QNA Rep, Mult 80,81,87,90
50.02 1 2vrzA ZN Rep, Mult 70,73
60.02 1 4aywA Y01 Rep, Mult 11,68,71,72,75,76
70.02 1 1sumB FE Rep, Mult 29,63,66
80.02 1 2xqsA CVM Rep, Mult 32,36,39
90.02 1 4n6hA OLA Rep, Mult 61,64,65,68
100.02 1 2xqtB CVM Rep, Mult 39,43
110.02 1 3zprB 2CV Rep, Mult 26,29,65,69,72
120.02 1 3favC ZN Rep, Mult 3,7
130.02 1 1vsgA UUU Rep, Mult 14,17,18,21,24,69
140.02 1 3ny8A CLR Rep, Mult 77,78,81,82
150.02 1 2wbiB FAD Rep, Mult 58,59,61

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
10.1701cxzB0.5282.800.0680.7292.7.11.1328,31,33
20.0721wu0A0.4962.640.0610.6773.6.3.1477
30.0601rsrB0.6193.270.0950.9171.17.4.121
40.0602pnrB0.5893.220.0230.8442.7.11.214
50.0603crlB0.6063.040.0330.9062.7.11.269
60.0602jifA0.5993.120.0780.8331.3.99.-90
70.0601occA0.6153.280.0330.9061.9.3.1NA
80.0602r0nA0.4633.680.0640.8021.3.99.768
90.0601m56A0.6123.220.0440.9061.9.3.1NA
100.0601yfeA0.5963.120.0570.8654.2.1.2NA
110.0601fftA0.5933.400.0780.9171.10.3.-NA
120.0601siqA0.5993.130.0670.8331.3.99.763
130.0601bucB0.6112.870.0890.8231.3.99.269
140.0602pnrF0.5943.330.0230.8542.7.11.2NA
150.0603d4sA0.6303.390.0430.9483.2.1.1731,61,65
160.0602z1qB0.6163.020.0980.8331.3.99.377
170.0602ebaA0.6182.950.0890.8331.3.99.7NA
180.0601biqB0.6203.260.0950.9171.17.4.1NA
190.0602fonB0.6103.040.0340.8651.3.3.6NA
200.0603d2rB0.6082.940.0350.8542.7.11.214
210.0601jtnA0.3433.540.0000.5003.2.1.1764

(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
00.660.5842.210.580.753q4hD GO:0005576
10.460.9081.120.210.991wa8B GO:0005576 GO:0005618 GO:0005737 GO:0005886 GO:0009405 GO:0042803 GO:0044315 GO:0046812 GO:0052027 GO:0052083
20.220.5592.640.080.743f31B GO:0000165 GO:0003779 GO:0005088 GO:0005200 GO:0005509 GO:0005516 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005913 GO:0005938 GO:0006888 GO:0007411 GO:0008091 GO:0015630 GO:0016020 GO:0019905 GO:0031532 GO:0032403 GO:0043231 GO:0043234 GO:0043547 GO:0046872 GO:0047485 GO:0051693 GO:0070062 GO:0098609 GO:0098641 GO:1903561
30.170.6253.080.070.923fb2B GO:0000165 GO:0003779 GO:0005088 GO:0005200 GO:0005509 GO:0005516 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005913 GO:0005938 GO:0006888 GO:0007411 GO:0008091 GO:0015630 GO:0016020 GO:0019905 GO:0031532 GO:0032403 GO:0043231 GO:0043234 GO:0043547 GO:0046872 GO:0047485 GO:0051693 GO:0070062 GO:0098609 GO:0098641 GO:1903561
40.160.5893.160.040.893lbxB GO:0000165 GO:0003779 GO:0005088 GO:0005200 GO:0005737 GO:0005829 GO:0005856 GO:0005938 GO:0006888 GO:0007411 GO:0008091 GO:0009986 GO:0014731 GO:0015629 GO:0030506 GO:0031235 GO:0043234 GO:0043547 GO:0051015 GO:0051693
50.110.6552.650.100.903pdyB GO:0003779 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005903 GO:0005913 GO:0005925 GO:0008092 GO:0008307 GO:0016528 GO:0030054 GO:0030056 GO:0030506 GO:0031012 GO:0031581 GO:0042383 GO:0043034 GO:0043292 GO:0044822 GO:0045111 GO:0070062 GO:0098609 GO:0098641
60.100.6682.860.090.923kbuB GO:0000165 GO:0003779 GO:0005088 GO:0005200 GO:0005737 GO:0005829 GO:0005856 GO:0005938 GO:0006888 GO:0007411 GO:0008091 GO:0009986 GO:0014731 GO:0015629 GO:0030506 GO:0031235 GO:0043234 GO:0043547 GO:0051015 GO:0051693
70.090.6433.200.030.944n6hA GO:0000060 GO:0004871 GO:0004930 GO:0004985 GO:0005506 GO:0005737 GO:0005886 GO:0005887 GO:0006955 GO:0007165 GO:0007186 GO:0007187 GO:0007193 GO:0007200 GO:0007218 GO:0007268 GO:0008344 GO:0009055 GO:0010629 GO:0016020 GO:0016021 GO:0019233 GO:0020037 GO:0022900 GO:0031226 GO:0031982 GO:0032460 GO:0032590 GO:0032793 GO:0033138 GO:0038003 GO:0038046 GO:0042597 GO:0042755 GO:0042923 GO:0043005 GO:0043679 GO:0045121 GO:0045211 GO:0046872 GO:0051881 GO:0051924 GO:0051930 GO:0055114 GO:0071363 GO:0071456 GO:0097237
80.080.6193.580.040.935dgyA GO:0000139 GO:0001523 GO:0001750 GO:0001917 GO:0002046 GO:0003796 GO:0003824 GO:0004871 GO:0004930 GO:0005794 GO:0005886 GO:0005887 GO:0005911 GO:0006468 GO:0007165 GO:0007186 GO:0007601 GO:0007602 GO:0007603 GO:0008020 GO:0008152 GO:0009253 GO:0009416 GO:0009583 GO:0009585 GO:0009881 GO:0016020 GO:0016021 GO:0016038 GO:0016056 GO:0016787 GO:0016798 GO:0016918 GO:0016998 GO:0018298 GO:0019076 GO:0019835 GO:0022400 GO:0030430 GO:0030507 GO:0030660 GO:0030867 GO:0042622 GO:0042742 GO:0045494 GO:0046872 GO:0050896 GO:0050953 GO:0051219 GO:0060041 GO:0060170 GO:0060342 GO:0071482 GO:0097381
90.070.6402.710.140.893edvA GO:0000165 GO:0000281 GO:0003779 GO:0005088 GO:0005200 GO:0005516 GO:0005543 GO:0005634 GO:0005730 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005913 GO:0006888 GO:0007009 GO:0007182 GO:0007184 GO:0007411 GO:0008091 GO:0014731 GO:0016020 GO:0030506 GO:0030673 GO:0030863 GO:0031430 GO:0032437 GO:0043001 GO:0043547 GO:0044822 GO:0051020 GO:0051693 GO:0070062 GO:0071709 GO:0072661 GO:0097481 GO:0098609 GO:0098641 GO:1900042 GO:1903076 GO:1903078
100.070.6003.420.020.853r6nA GO:0001533 GO:0002934 GO:0003223 GO:0005080 GO:0005198 GO:0005200 GO:0005634 GO:0005737 GO:0005856 GO:0005882 GO:0005886 GO:0005911 GO:0005916 GO:0008544 GO:0014704 GO:0016020 GO:0016323 GO:0016337 GO:0018149 GO:0030054 GO:0030057 GO:0030216 GO:0030674 GO:0031012 GO:0034332 GO:0042060 GO:0043588 GO:0044822 GO:0045104 GO:0045109 GO:0050839 GO:0070062 GO:0071896 GO:0086073 GO:0086083 GO:0086091 GO:0097110 GO:0098911
110.070.6352.850.060.892iakA GO:0001725 GO:0003779 GO:0005509 GO:0005634 GO:0005635 GO:0005737 GO:0005783 GO:0005789 GO:0005856 GO:0005874 GO:0005882 GO:0005886 GO:0005925 GO:0005938 GO:0007010 GO:0007050 GO:0007155 GO:0007409 GO:0008090 GO:0008092 GO:0009898 GO:0014704 GO:0015629 GO:0015630 GO:0016020 GO:0016021 GO:0016023 GO:0030018 GO:0030054 GO:0030056 GO:0030424 GO:0031673 GO:0035371 GO:0042383 GO:0042803 GO:0042995 GO:0045104 GO:0046872 GO:0046907 GO:0048471 GO:0051010 GO:0097038 GO:0097481 GO:1904115
120.070.5763.910.080.954amjB GO:0004871 GO:0004930 GO:0004935 GO:0004940 GO:0005057 GO:0005088 GO:0005768 GO:0005769 GO:0005886 GO:0005887 GO:0007165 GO:0007186 GO:0007189 GO:0008144 GO:0016020 GO:0016021 GO:0030819 GO:0031402 GO:0043547 GO:0043950 GO:0045823 GO:0050824 GO:0071880
130.070.6113.280.100.911u4qA GO:0003779 GO:0005509 GO:0005516 GO:0005737 GO:0005856 GO:0005938 GO:0046872 GO:0051693
140.070.6193.310.070.934u15B GO:0003056 GO:0003796 GO:0003824 GO:0004871 GO:0004930 GO:0005886 GO:0005887 GO:0006939 GO:0007165 GO:0007186 GO:0007197 GO:0007207 GO:0007213 GO:0007271 GO:0007586 GO:0008144 GO:0008152 GO:0009253 GO:0016020 GO:0016021 GO:0016323 GO:0016787 GO:0016798 GO:0016907 GO:0016998 GO:0019229 GO:0019835 GO:0030054 GO:0030425 GO:0032279 GO:0042166 GO:0042742 GO:0043679 GO:0045202 GO:0045211 GO:0045987 GO:0046541
150.070.5462.940.030.771owaA GO:0000165 GO:0002260 GO:0003779 GO:0005088 GO:0005200 GO:0005509 GO:0005737 GO:0005829 GO:0005856 GO:0005938 GO:0006779 GO:0006888 GO:0007009 GO:0007015 GO:0007411 GO:0008091 GO:0008360 GO:0014731 GO:0015629 GO:0016020 GO:0030036 GO:0030097 GO:0030863 GO:0031235 GO:0032092 GO:0032437 GO:0042102 GO:0043547 GO:0046872 GO:0046982 GO:0051015 GO:0051693
160.070.5993.010.030.854mqsA GO:0004871 GO:0004930 GO:0005886 GO:0005887 GO:0006940 GO:0007165 GO:0007186 GO:0007187 GO:0007188 GO:0007197 GO:0007207 GO:0007213 GO:0007271 GO:0007399 GO:0008016 GO:0008144 GO:0009615 GO:0016020 GO:0016021 GO:0016907 GO:0030054 GO:0030425 GO:0032279 GO:0032280 GO:0043025 GO:0043679 GO:0045202 GO:0045211
170.070.5663.490.020.904ldeA GO:0001666 GO:0001889 GO:0001965 GO:0001993 GO:0002024 GO:0002025 GO:0002028 GO:0002032 GO:0002086 GO:0003059 GO:0003796 GO:0003824 GO:0004871 GO:0004930 GO:0004935 GO:0004941 GO:0005634 GO:0005737 GO:0005764 GO:0005768 GO:0005769 GO:0005886 GO:0005887 GO:0005901 GO:0006898 GO:0006940 GO:0007165 GO:0007166 GO:0007171 GO:0007186 GO:0007188 GO:0007189 GO:0007190 GO:0007267 GO:0007565 GO:0007568 GO:0008144 GO:0008152 GO:0008179 GO:0008284 GO:0008306 GO:0008333 GO:0009253 GO:0009409 GO:0010765 GO:0015459 GO:0016020 GO:0016021 GO:0016324 GO:0016525 GO:0016787 GO:0016798 GO:0016998 GO:0019076 GO:0019835 GO:0019899 GO:0030279 GO:0030424 GO:0030425 GO:0030430 GO:0030501 GO:0031398 GO:0031649 GO:0031713 GO:0032403 GO:0032570 GO:0032781 GO:0032809 GO:0033574 GO:0035240 GO:0035249 GO:0035255 GO:0035811 GO:0040015 GO:0042060 GO:0042312 GO:0042383 GO:0042742 GO:0042803 GO:0043065 GO:0043197 GO:0043231 GO:0043235 GO:0043268 GO:0043410 GO:0043627 GO:0044849 GO:0045453 GO:0045823 GO:0045909 GO:0045944 GO:0045986 GO:0048633 GO:0050728 GO:0050873 GO:0051379 GO:0051380 GO:0051924 GO:0051930 GO:0060079 GO:0071456 GO:0071548 GO:0071867 GO:0071880 GO:0090331 GO:0097421 GO:1901098 GO:1904504 GO:1904925
180.070.5233.560.020.804k5yA GO:0003796 GO:0003824 GO:0004871 GO:0004888 GO:0004930 GO:0005768 GO:0005886 GO:0005887 GO:0006955 GO:0007165 GO:0007166 GO:0007186 GO:0007190 GO:0007565 GO:0007567 GO:0008152 GO:0009253 GO:0010578 GO:0010579 GO:0015056 GO:0016020 GO:0016021 GO:0016787 GO:0016798 GO:0016998 GO:0019076 GO:0019835 GO:0030430 GO:0031226 GO:0042742 GO:0051458 GO:0071376 GO:1901386 GO:2000852


Consensus prediction of GO terms		 
Molecular Function GO:0046812 GO:0042803 GO:0003779 GO:0005200 GO:0005088 GO:0098641 GO:0019905 GO:0047485 GO:0032403 GO:0005509 GO:0005516
GO-Score 0.46 0.46 0.45 0.45 0.45 0.35 0.35 0.35 0.35 0.35 0.35
Biological Processes GO:0009405 GO:0052083 GO:0044315 GO:0052027 GO:0007411 GO:0043547 GO:0051693 GO:0006888 GO:0000165 GO:0031532 GO:0098609
GO-Score 0.46 0.46 0.46 0.46 0.45 0.45 0.45 0.45 0.45 0.35 0.35
Cellular Component GO:0005618 GO:0005829 GO:0043234 GO:0008091 GO:0015630 GO:0005913 GO:0070062 GO:0043231 GO:0009898 GO:0031226
GO-Score 0.46 0.45 0.45 0.45 0.35 0.35 0.35 0.35 0.31 0.31

(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.